=>> Building science/openmx
build started at Mon May 27 17:18:27 EDT 2019
port directory: /usr/ports/science/openmx
package name: openmx-3.8.5_4
building for: FreeBSD head-amd64-default-job-01 13.0-CURRENT FreeBSD 13.0-CURRENT 1300029 amd64
maintained by: yuri@FreeBSD.org
Makefile ident:
Poudriere version: 3.3.99.20190311
Host OSVERSION: 1300029
Jail OSVERSION: 1300029
Job Id: 01
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---Begin OPTIONS List---
===> The following configuration options are available for openmx-3.8.5_4:
SIMD=on: Use CPU-specific optimizations
===> Use 'make config' to modify these settings
---End OPTIONS List---
--MAINTAINER--
yuri@FreeBSD.org
--End MAINTAINER--
--CONFIGURE_ARGS--
--End CONFIGURE_ARGS--
--CONFIGURE_ENV--
F77="gfortran8" FC="gfortran8" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc8" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc8" MAKE=gmake XDG_DATA_HOME=/wrkdirs/usr/ports/science/openmx/work XDG_CONFIG_HOME=/wrkdirs/usr/ports/science/openmx/work HOME=/wrkdirs/usr/ports/science/openmx/work TMPDIR="/tmp" PATH=/wrkdirs/usr/ports/science/openmx/work/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin SHELL=/bin/sh CONFIG_SHELL=/bin/sh CMAKE_PREFIX_PATH="/usr/local"
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--End MAKE_ENV--
--PLIST_SUB--
OSREL=13.0 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib DOCSDIR="share/doc/openmx" EXAMPLESDIR="share/examples/openmx" DATADIR="share/openmx" WWWDIR="www/openmx" ETCDIR="etc/openmx"
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=======================<phase: check-sanity >============================
===> License GPLv2 accepted by the user
===========================================================================
=======================<phase: pkg-depends >============================
===> openmx-3.8.5_4 depends on file: /usr/local/sbin/pkg - not found
===> Installing existing package /packages/All/pkg-1.10.5_5.txz
[head-amd64-default-job-01] Installing pkg-1.10.5_5...
[head-amd64-default-job-01] Extracting pkg-1.10.5_5: .......... done
===> openmx-3.8.5_4 depends on file: /usr/local/sbin/pkg - found
===> Returning to build of openmx-3.8.5_4
===========================================================================
=======================<phase: fetch-depends >============================
===========================================================================
=======================<phase: fetch >============================
===> License GPLv2 accepted by the user
===> openmx-3.8.5_4 depends on file: /usr/local/sbin/pkg - found
===> Fetching all distfiles required by openmx-3.8.5_4 for building
===========================================================================
=======================<phase: checksum >============================
===> License GPLv2 accepted by the user
===> openmx-3.8.5_4 depends on file: /usr/local/sbin/pkg - found
===> Fetching all distfiles required by openmx-3.8.5_4 for building
=> SHA256 Checksum OK for openmx/openmx3.8.tar.gz.
=> SHA256 Checksum OK for openmx/patch3.8.5.tar.gz.
===========================================================================
=======================<phase: extract-depends>============================
===========================================================================
=======================<phase: extract >============================
===> License GPLv2 accepted by the user
===> openmx-3.8.5_4 depends on file: /usr/local/sbin/pkg - found
===> Fetching all distfiles required by openmx-3.8.5_4 for building
===> Extracting for openmx-3.8.5_4
=> SHA256 Checksum OK for openmx/openmx3.8.tar.gz.
=> SHA256 Checksum OK for openmx/patch3.8.5.tar.gz.
===========================================================================
=======================<phase: patch-depends >============================
===========================================================================
=======================<phase: patch >============================
===> Patching for openmx-3.8.5_4
===> Converting DOS text files to UNIX text files
===> Applying FreeBSD patches for openmx-3.8.5_4
===> Ignoring patchfile patch-makefile.orig
===========================================================================
=======================<phase: build-depends >============================
===> openmx-3.8.5_4 depends on executable: gfortran8 - not found
===> Installing existing package /packages/All/gcc8-8.3.0_2.txz
[head-amd64-default-job-01] Installing gcc8-8.3.0_2...
[head-amd64-default-job-01] `-- Installing binutils-2.32_1,1...
[head-amd64-default-job-01] | `-- Installing gettext-runtime-0.19.8.1_2...
[head-amd64-default-job-01] | | `-- Installing indexinfo-0.3.1...
[head-amd64-default-job-01] | | `-- Extracting indexinfo-0.3.1: .... done
[head-amd64-default-job-01] | `-- Extracting gettext-runtime-0.19.8.1_2: .......... done
[head-amd64-default-job-01] `-- Extracting binutils-2.32_1,1: .......... done
[head-amd64-default-job-01] `-- Installing gmp-6.1.2_1...
[head-amd64-default-job-01] `-- Extracting gmp-6.1.2_1: .......... done
[head-amd64-default-job-01] `-- Installing mpc-1.1.0_2...
[head-amd64-default-job-01] | `-- Installing mpfr-4.0.2...
[head-amd64-default-job-01] | `-- Extracting mpfr-4.0.2: .......... done
[head-amd64-default-job-01] `-- Extracting mpc-1.1.0_2: ......... done
[head-amd64-default-job-01] Extracting gcc8-8.3.0_2: .......... done
Message from gcc8-8.3.0_2:
To ensure binaries built with this toolchain find appropriate versions
of the necessary run-time libraries, you may want to link using
-Wl,-rpath=/usr/local/lib/gcc8
For ports leveraging USE_GCC, USES=compiler, or USES=fortran this happens
transparently.
===> openmx-3.8.5_4 depends on executable: gfortran8 - found
===> Returning to build of openmx-3.8.5_4
===> openmx-3.8.5_4 depends on executable: gmake - not found
===> Installing existing package /packages/All/gmake-4.2.1_3.txz
[head-amd64-default-job-01] Installing gmake-4.2.1_3...
[head-amd64-default-job-01] Extracting gmake-4.2.1_3: .......... done
===> openmx-3.8.5_4 depends on executable: gmake - found
===> Returning to build of openmx-3.8.5_4
===> openmx-3.8.5_4 depends on file: /usr/local/bin/as - found
===========================================================================
=======================<phase: lib-depends >============================
===> openmx-3.8.5_4 depends on shared library: libblas.so - not found
===> Installing existing package /packages/All/blas-3.5.0_5.txz
[head-amd64-default-job-01] Installing blas-3.5.0_5...
[head-amd64-default-job-01] Extracting blas-3.5.0_5: ....... done
===> openmx-3.8.5_4 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so)
===> Returning to build of openmx-3.8.5_4
===> openmx-3.8.5_4 depends on shared library: libfftw3.so - not found
===> Installing existing package /packages/All/fftw3-3.3.8_3.txz
[head-amd64-default-job-01] Installing fftw3-3.3.8_3...
[head-amd64-default-job-01] Extracting fftw3-3.3.8_3: .......... done
===> openmx-3.8.5_4 depends on shared library: libfftw3.so - found (/usr/local/lib/libfftw3.so)
===> Returning to build of openmx-3.8.5_4
===> openmx-3.8.5_4 depends on shared library: liblapack.so - not found
===> Installing existing package /packages/All/lapack-3.5.0_7.txz
[head-amd64-default-job-01] Installing lapack-3.5.0_7...
[head-amd64-default-job-01] Extracting lapack-3.5.0_7: .......... done
===> openmx-3.8.5_4 depends on shared library: liblapack.so - found (/usr/local/lib/liblapack.so)
===> Returning to build of openmx-3.8.5_4
===> openmx-3.8.5_4 depends on shared library: libmpich.so - not found
===> Installing existing package /packages/All/mpich-3.2.1_4.txz
[head-amd64-default-job-01] Installing mpich-3.2.1_4...
[head-amd64-default-job-01] `-- Installing hwloc-1.11.11...
[head-amd64-default-job-01] | `-- Installing libpciaccess-0.13.5...
[head-amd64-default-job-01] | | `-- Installing pciids-20190418...
[head-amd64-default-job-01] | | `-- Extracting pciids-20190418: ..... done
[head-amd64-default-job-01] | `-- Extracting libpciaccess-0.13.5: ......... done
[head-amd64-default-job-01] | `-- Installing libxml2-2.9.8...
[head-amd64-default-job-01] | `-- Extracting libxml2-2.9.8: .......... done
[head-amd64-default-job-01] `-- Extracting hwloc-1.11.11: .......... done
[head-amd64-default-job-01] Extracting mpich-3.2.1_4: .......... done
Message from mpich-3.2.1_4:
===> NOTICE:
The mpich port currently does not have a maintainer. As a result, it is
more likely to have unresolved issues, not be up-to-date, or even be removed in
the future. To volunteer to maintain this port, please create an issue at:
https://bugs.freebsd.org/bugzilla
More information about port maintainership is available at:
https://www.freebsd.org/doc/en/articles/contributing/ports-contributing.html#maintain-port
===> openmx-3.8.5_4 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so)
===> Returning to build of openmx-3.8.5_4
===========================================================================
=>> Recording filesystem state for prebuild... done
=======================<phase: configure >============================
===> openmx-3.8.5_4 depends on executable: gfortran8 - found
===> openmx-3.8.5_4 depends on executable: gmake - found
===> openmx-3.8.5_4 depends on file: /usr/local/bin/as - found
===> openmx-3.8.5_4 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so)
===> openmx-3.8.5_4 depends on shared library: libfftw3.so - found (/usr/local/lib/libfftw3.so)
===> openmx-3.8.5_4 depends on shared library: liblapack.so - found (/usr/local/lib/liblapack.so)
===> openmx-3.8.5_4 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so)
===> Configuring for openmx-3.8.5_4
===========================================================================
=======================<phase: build >============================
===> Building for openmx-3.8.5_4
gmake[1]: Entering directory '/wrkdirs/usr/ports/science/openmx/work/openmx3.8/source'
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c openmx.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c openmx_common.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Input_std.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Inputtools.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c init.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c LU_inverse.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c ReLU_inverse.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c truncation.c
Input_std.c:206:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Definition.of.Atomic.Species")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:206:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Definition.of.Atomic.Species")) {
^
( )
Input_std.c:206:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Definition.of.Atomic.Species")) {
^
==
Inputtools.c:374:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
while ( c=fgets(buf,size,fp) ) {
~^~~~~~~~~~~~~~~~~~~
Inputtools.c:374:12: note: place parentheses around the assignment to silence this warning
while ( c=fgets(buf,size,fp) ) {
^
( )
Inputtools.c:374:12: note: use '==' to turn this assignment into an equality comparison
while ( c=fgets(buf,size,fp) ) {
^
==
openmx_common.c:358:7: warning: expression result unused [-Wunused-value]
*f1++;
^~~~~
openmx_common.c:359:7: warning: expression result unused [-Wunused-value]
*f4++;
^~~~~
openmx_common.c:364:7: warning: expression result unused [-Wunused-value]
*f2++;
^~~~~
openmx_common.c:365:7: warning: expression result unused [-Wunused-value]
*f4++;
^~~~~
openmx_common.c:370:7: warning: expression result unused [-Wunused-value]
*f3++;
^~~~~
openmx_common.c:371:7: warning: expression result unused [-Wunused-value]
*f4++;
^~~~~
Inputtools.c:419:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
openmx_common.c:388:7: warning: expression result unused [-Wunused-value]
while ( c=fgets(buf,size,fp) ) { *f1++;
^~~~~
openmx_common.c:389:7: warning: expression result unused [-Wunused-value]
*f4++;
^~~~~
~^~~~~~~~~~~~~~~~~~~
openmx_common.c:394:7: warning: expression result unused [-Wunused-value]
*f2++;
^~~~~
openmx_common.c:395:7: warningInputtools.c:419:12: note: : place parentheses around the assignment to silence this warningexpression result unused [-Wunused-value]
*f4++; while ( c=fgets(buf,size,fp) ) {
^~~~~ ^
( )
openmx_common.c:400:7: warningInputtools.c: :expression result unused [-Wunused-value]419
: *f3++;12
: ^~~~~
noteInput_std.c: openmx_common.cuse '==' to turn this assignment into an equality comparison:
:533401::117:: warningwarning: : using the result of an assignment as a condition without parentheses [-Wparentheses]expression result unused [-Wunused-value]
*f4++; if (fp=input_find("<MD.TempControl")) {
while ( c=fgets(buf,size,fp) ) { ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
^
==
Input_std.c:533:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MD.TempControl")) {
^
( )
Input_std.c:533:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.TempControl")) {
^
==
Input_std.c:571:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MD.CellPressureControl")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:571:9: note: place parentheses around the assignment to silence this warning
^~~~~
if (fp=input_find("<MD.CellPressureControl")) {
^
( )
Input_std.c:571:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.CellPressureControl")) {
^
==
Inputtools.c:466:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
while ( c=fgets(buf,size,fp) ) {
~^~~~~~~~~~~~~~~~~~~
Inputtools.c:466:12: note: place parentheses around the assignment to silence this warning
openmx_common.c:418:5: warning: expression result unused [-Wunused-value]
while ( c=fgets(buf,size,fp) ) {
^
( )
*f1++;
^~~~~
openmx_common.c:419:5: warning: expression result unused [-Wunused-value]
*f2++;
^~~~~
Inputtools.c:466:12: note: use '==' to turn this assignment into an equality comparison
while ( c=fgets(buf,size,fp) ) {
^
==
Input_std.c:750:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<scf.SO.factor")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:750:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<scf.SO.factor")) {
^
( )
Input_std.c:750:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<scf.SO.factor")) {
^
==
Input_std.c:798:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<scf.pcc.opencore")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:798:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<scf.pcc.opencore")) {
^
( )
Input_std.c:798:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<scf.pcc.opencore")) {
^
==
Input_std.c:1195:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1195:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
^
( )
Input_std.c:1195:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
^
==
Input_std.c:1329:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.Unitvectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1329:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.Unitvectors")) {
^
( )
Input_std.c:1329:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.Unitvectors")) {
^
==
Input_std.c:1704:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<DFTD.periodicity")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1704:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<DFTD.periodicity")) {
^
( )
Input_std.c:1704:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<DFTD.periodicity")) {
^
==
Input_std.c:1757:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MD.Fixed.Cell.Vectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1757:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MD.Fixed.Cell.Vectors")) {
^
( )
Input_std.c:1757:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.Fixed.Cell.Vectors")) {
^
==
Input_std.c:1787:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MD.Fixed.XYZ")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1787:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MD.Fixed.XYZ")) {
^
( )
Input_std.c:1787:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.Fixed.XYZ")) {
^
==
Input_std.c:1807:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MD.Init.Velocity")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1807:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MD.Init.Velocity")) {
^
( )
Input_std.c:1807:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.Init.Velocity")) {
^
==
Input_std.c:1857:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MD.AtomGroup")){
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1857:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MD.AtomGroup")){
^
( )
Input_std.c:1857:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.AtomGroup")){
^
==
Input_std.c:1908:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Hubbard.U.values")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:1908:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Hubbard.U.values")) {
^
( )
Input_std.c:1908:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Hubbard.U.values")) {
^
==
Input_std.c:2025:14: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Band.kpath.UnitCell") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2025:14: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Band.kpath.UnitCell") ) {
^
( )
Input_std.c:2025:14: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Band.kpath.UnitCell") ) {
^
==
Input_std.c:2082:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Band.kpath") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2082:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Band.kpath") ) {
^
( )
Input_std.c:2082:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Band.kpath") ) {
^
==
Input_std.c:2223:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<orderN.FNAN+SNAN")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2223:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<orderN.FNAN+SNAN")) {
^
( )
Input_std.c:2223:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<orderN.FNAN+SNAN")) {
^
==
Input_std.c:2336:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MO.kpoint")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2336:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MO.kpoint")) {
^
( )
Input_std.c:2336:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MO.kpoint")) {
^
==
Input_std.c:2383:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<NBO.CenterAtoms")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2383:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<NBO.CenterAtoms")) {
^
( )
Input_std.c:2383:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<NBO.CenterAtoms")) {
^
==
Input_std.c:2402:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<NBO.SmallCell")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2402:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<NBO.SmallCell")) {
^
( )
Input_std.c:2402:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<NBO.SmallCell")) {
^
==
Input_std.c:2459:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Unfolding.ReferenceVectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2459:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Unfolding.ReferenceVectors")) {
^
( )
Input_std.c:2459:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Unfolding.ReferenceVectors")) {
^
==
Input_std.c:2486:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Unfolding.Referenceorigin")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2486:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Unfolding.Referenceorigin")) {
^
( )
Input_std.c:2486:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Unfolding.Referenceorigin")) {
^
==
Input_std.c:2515:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Unfolding.Map")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2515:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Unfolding.Map")) {
^
( )
Input_std.c:2515:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Unfolding.Map")) {
^
==
Input_std.c:2567:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Unfolding.kpoint")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2567:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Unfolding.kpoint")) {
^
( )
Input_std.c:2567:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Unfolding.kpoint")) {
^
==
Input_std.c:2609:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.Cont.Orbitals")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2609:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.Cont.Orbitals")) {
^
( )
Input_std.c:2609:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.Cont.Orbitals")) {
^
==
Input_std.c:2863:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Wannier.Initial.Projectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2863:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Wannier.Initial.Projectors")) {
^
( )
Input_std.c:2863:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Wannier.Initial.Projectors")) {
^
==
Input_std.c:2919:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Wannier.Initial.Projectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Input_std.c:2919:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Wannier.Initial.Projectors")) {
^
( )
Input_std.c:2919:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Wannier.Initial.Projectors")) {
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c readfile.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_PAO.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_NLP.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_ProExpn_VNA.c
14 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_VNA.c
3 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_ProductPAO.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster_Hs.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Overlap_Cluster.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Band.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Overlap_Band.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster_NC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Band_NC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster_SO.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_OneD_HS_Col.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c SetPara_DFT.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_Ceperly_Alder.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_CA_LSDA.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_PW92C.c
SetPara_DFT.c:520:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<valence.charge.density")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
SetPara_DFT.c:520:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<valence.charge.density")) {
^
( )
SetPara_DFT.c:520:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<valence.charge.density")) {
^
==
SetPara_DFT.c:569:13: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find(file1)) {
~~^~~~~~~~~~~~~~~~~~
SetPara_DFT.c:569:13: note: place parentheses around the assignment to silence this warning
if (fp=input_find(file1)) {
^
( )
SetPara_DFT.c:569:13: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find(file1)) {
^
==
SetPara_DFT.c:696:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<project.energies")){
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
SetPara_DFT.c:696:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<project.energies")){
^
( )
SetPara_DFT.c:696:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<project.energies")){
^
==
SetPara_DFT.c:783:13: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Pseudo.Potentials")){
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
SetPara_DFT.c:783:13: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Pseudo.Potentials")){
^
( )
SetPara_DFT.c:783:13: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Pseudo.Potentials")){
^
==
SetPara_DFT.c:884:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<pseudo.NandL")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
SetPara_DFT.c:884:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<pseudo.NandL")) {
^
( )
SetPara_DFT.c:884:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<pseudo.NandL")) {
^
==
SetPara_DFT.c:949:15: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<projection.energies")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
SetPara_DFT.c:949:15: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<projection.energies")) {
^
( )
SetPara_DFT.c:949:15: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<projection.energies")) {
^
==
SetPara_DFT.c:969:13: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Pseudo.Potentials")){
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
SetPara_DFT.c:969:13: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Pseudo.Potentials")){
^
( )
SetPara_DFT.c:969:13: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Pseudo.Potentials")){
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_PBE.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_EX.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DFT.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Mixing_DM.c
DFT.c:1114:8: warning: '&&' within '||' [-Wlogical-op-parentheses]
&& Solver!=4 ){
^~~~~~~~~~~~
DFT.c:1114:8: note: place parentheses around the '&&' expression to silence this warning
&& Solver!=4 ){
^
)
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Mixing_H.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Force.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Stress.c
Force.c:4258:23: warning: '&&' within '||' [-Wlogical-op-parentheses]
if ( SpinP_switch==3 && (SO_switch==1 || (Hub_U_switch==1 && F_U_flag==1)
~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Force.c:4258:23: note: place parentheses around the '&&' expression to silence this warning
if ( SpinP_switch==3 && (SO_switch==1 || (Hub_U_switch==1 && F_U_flag==1)
^
(
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Poisson.c
26 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Poisson_ESM.c
7 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT_ScaLAPACK.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT_Dosout.c
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT_ON2.c
Cluster_DFT_ON2.c:1029:11: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
if (fabs(n1-n0)<=diff_n){
^
Cluster_DFT_ON2.c:1029:11: note: use function 'abs' instead
if (fabs(n1-n0)<=diff_n){
^~~~
abs
Cluster_DFT_ON2.c:1031:11: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
diff_n = fabs(n1-n0);
^
Cluster_DFT_ON2.c:1031:11: note: use function 'abs' instead
diff_n = fabs(n1-n0);
^~~~
abs
Cluster_DFT_ON2.c:1079:16: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
abc_mag[1] = fabs(abc_n0[1]-abc_n1[1])+abc_nb[1];
^
Cluster_DFT_ON2.c:1079:16: note: use function 'abs' instead
abc_mag[1] = fabs(abc_n0[1]-abc_n1[1])+abc_nb[1];
^~~~
abs
Cluster_DFT_ON2.c:1080:16: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
abc_mag[2] = fabs(abc_n0[2]-abc_n1[2])+abc_nb[2];
^
Cluster_DFT_ON2.c:1080:16: note: use function 'abs' instead
abc_mag[2] = fabs(abc_n0[2]-abc_n1[2])+abc_nb[2];
^~~~
abs
Cluster_DFT_ON2.c:1081:16: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
abc_mag[3] = fabs(abc_n0[3]-abc_n1[3])+abc_nb[3];
^
Cluster_DFT_ON2.c:1081:16: note: use function 'abs' instead
abc_mag[3] = fabs(abc_n0[3]-abc_n1[3])+abc_nb[3];
^~~~
abs
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_Col.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_Col_ScaLAPACK.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_NonCol.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_kpath.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_MO.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Unfolding_Bands.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_Dosout.c
5 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Density_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Orbitals_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Aden_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Gauss_Legendre.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c zero_cfrac.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c xyz2spherical.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c AngularF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c RadialF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_RadialF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c PhiF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c VNAF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_VNAF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c VH_AtomF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_VH_AtomF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c RF_BesselF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c QuickSort.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Nonlocal_RadialF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c KumoF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_KumoF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Mulliken_Charge.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Occupation_Number_LDA_U.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eff_Hub_Pot.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c EulerAngle_Spin.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Smoothing_Func.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Orbital_Moment.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Pot_NeutralAtom.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Simple_Mixing_DM.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DIIS_Mixing_DM.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c ADIIS_Mixing_DM.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c GR_Pulay_DM.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Kerker_Mixing_Rhok.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DIIS_Mixing_Rhok.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Total_Energy.c
Total_Energy.c:3374:17: warning: logical not is only applied to the left hand side of this comparison [-Wlogical-not-parentheses]
if((!(abs(n1)+abs(n2)+abs(n3))==0) && (per_flag1==0 && per_flag2==1) ){
^ ~~
Total_Energy.c:3374:17: note: add parentheses after the '!' to evaluate the comparison first
if((!(abs(n1)+abs(n2)+abs(n3))==0) && (per_flag1==0 && per_flag2==1) ){
^
( )
Total_Energy.c:3374:17: note: add parentheses around left hand side expression to silence this warning
if((!(abs(n1)+abs(n2)+abs(n3))==0) && (per_flag1==0 && per_flag2==1) ){
^
( )
Total_Energy.c:3485:6: warning: '/*' within block comment [-Wcomment]
/* END: for printing gradients ERASE */
^
Total_Energy.c:3521:6: warning: '/*' within block comment [-Wcomment]
/* END: for printing gradients ERASE */
^
Total_Energy.c:3691:7: warning: logical not is only applied to the left hand side of this comparison [-Wlogical-not-parentheses]
if((!(abs(n1)+abs(n2)+abs(n3))==0) && (per_flagA==0 && per_flagB==1) ){
^ ~~
Total_Energy.c:3691:7: note: add parentheses after the '!' to evaluate the comparison first
if((!(abs(n1)+abs(n2)+abs(n3))==0) && (per_flagA==0 && per_flagB==1) ){
^
( )
Total_Energy.c:3691:7: note: add parentheses around left hand side expression to silence this warning
if((!(abs(n1)+abs(n2)+abs(n3))==0) && (per_flagA==0 && per_flagB==1) ){
^
( )
Total_Energy.c:3784:3: warning: '/*' within block comment [-Wcomment]
/* END: for printing gradients ERASE */
^
Total_Energy.c:3872:3: warning: '/*' within block comment [-Wcomment]
/* START: for printing gradients ERASE */
^
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Contract_Hamiltonian.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Contract_iHNL.c
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix0.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix1.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix3.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix4.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Opt_Contraction.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Initial_CntCoes.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Initial_CntCoes2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_XC_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_Orbitals.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_dOrbitals.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_Cnt_Orbitals.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_Cnt_dOrbitals.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Gaunt.c
Gaunt.c:52:8: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
if (!S3J_EQUAL(esp,j1-j2+m)) return 0;
^
Gaunt.c:9:26: note: expanded from macro 'S3J_EQUAL'
#define S3J_EQUAL(a,b) (fabs((a)-(b))<S3J_0)
^
Gaunt.c:52:8: note: use function 'abs' instead
Gaunt.c:9:26: note: expanded from macro 'S3J_EQUAL'
#define S3J_EQUAL(a,b) (fabs((a)-(b))<S3J_0)
^
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Find_CGrids.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c MD_pac.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c RestartFileDFT.c
MD_pac.c:1056:19: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
if (Max_Gradient<fabs(dE_da[i][j] && Cell_Fixed_XYZ[i][j]==0)){
^
MD_pac.c:1056:19: note: use function 'abs' instead
if (Max_Gradient<fabs(dE_da[i][j] && Cell_Fixed_XYZ[i][j]==0)){
^~~~
abs
MD_pac.c:1130:19: warning: using floating point absolute value function 'fabs' when argument is of integer type [-Wabsolute-value]
if (Max_Gradient<fabs(dE_da[i][j] && Cell_Fixed_XYZ[i][j]==0)){
^
MD_pac.c:1130:19: note: use function 'abs' instead
if (Max_Gradient<fabs(dE_da[i][j] && Cell_Fixed_XYZ[i][j]==0)){
^~~~
abs
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Output_CompTime.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Merge_LogFile.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Make_FracCoord.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Make_InputFile_with_FinalCoord.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Output_Energy_Decomposition.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Divide_Conquer.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Krylov.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c EC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Divide_Conquer_Dosout.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_lapack.c
EC.c:628:7: warning: implicit declaration of function 'dgemm_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(dgemm,DGEMM)("N", "T", &M, &N, &K, &alpha,
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:25:1: note: expanded from here
dgemm_
^
EC.c:1162:7: warning: implicit declaration of function 'dgemm_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(dgemm,DGEMM)("N", "N", &M, &N, &K, &alpha,
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:39:1: note: expanded from here
dgemm_
^
EC.c:2064:2: warning: implicit declaration of function 'dgemm_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(dgemm,DGEMM)("N", "N", &M, &N, &K, &alpha,
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:42:1: note: expanded from here
dgemm_
^
EC.c:2353:7: warning: implicit declaration of function 'dgemm_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(dgemm,DGEMM)("N", "N", &M, &N, &K, &alpha,
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:50:1: note: expanded from here
dgemm_
^
EC.c:3422:7: warning: implicit declaration of function 'dgemm_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(dgemm,DGEMM)("N", "T", &M, &N, &K, &alpha,
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:53:1: note: expanded from here
dgemm_
^
EC.c:3596:7: warning: implicit declaration of function 'dgemm_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(dgemm,DGEMM)("N", "N", &M, &N, &K, &alpha,
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:59:1: note: expanded from here
dgemm_
^
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_lapack2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_lapack3.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c EigenBand_lapack.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_PReHH.c
6 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c BroadCast_ReMatrix.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_PHH.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c BroadCast_ComplexMatrix.c
Eigen_PReHH.c:181:3: warning: implicit declaration of function 'solve_evp_real_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(solve_evp_real,SOLVE_EVP_REAL)(&na, &nev, a, &na_rows, &ko[1], z, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int);
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:25:1: note: expanded from here
solve_evp_real_
^
Eigen_PHH.c:163:3: warning: implicit declaration of function 'solve_evp_complex_' is invalid in C99 [-Wimplicit-function-declaration]
F77_NAME(solve_evp_complex,SOLVE_EVP_COMPLEX)(&na, &nev, a, &na_rows, &ko[1], z, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int);
^
./f77func.h:63:27: note: expanded from macro 'F77_NAME'
#define F77_NAME(a,A) a ## _
^
<scratch space>:25:1: note: expanded from here
solve_evp_complex_
^
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstedc1.c
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstedc2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstedc3.c
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstegr1.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstegr2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstegr3.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx1.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx3.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx4.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx5.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dsteqr1.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Nonlocal_Basis.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_OLP_Kin.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Nonlocal.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_ProExpn_VNA.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Hamiltonian.c
6 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Vpot.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Voronoi_Charge.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Voronoi_Orbital_Moment.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Fuzzy_Weight.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c dampingF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c deri_dampingF.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Spherical_Bessel.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c iterout.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c iterout_md.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Allocate_Arrays.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Free_Arrays.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Init_List_YOUSO.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c outputfile1.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c malloc_multidimarray.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c PrintMemory.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c PrintMemory_Fix.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c dtime.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c OutData.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c OutData_Binary.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c init_alloc_first.c
OutData_Binary.c:1860:3: warning: implicit declaration of function 'fsync' is invalid in C99 [-Wimplicit-function-declaration]
fsync(fd);
^
2 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c File_CntCoes.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c SCF2File.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c mimic_sse.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Make_Comm_Worlds.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Allocate_Atom2CPU.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cutoff.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Generating_MP_Special_Kpt.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Maketest.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Runtest.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Memory_Leak_test.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Force_test.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Stress_test.c
Runtest.c:272:14: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp3=input_find("<coordinates.forces")) {
~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Runtest.c:272:14: note: place parentheses around the assignment to silence this warning
if (fp3=input_find("<coordinates.forces")) {
^
( )
Runtest.c:272:14: note: use '==' to turn this assignment into an equality comparison
if (fp3=input_find("<coordinates.forces")) {
^
==
Runtest.c:322:14: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp3=input_find("<coordinates.forces")) {
~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Runtest.c:322:14: note: place parentheses around the assignment to silence this warning
if (fp3=input_find("<coordinates.forces")) {
^
( )
Runtest.c:322:14: note: use '==' to turn this assignment into an equality comparison
if (fp3=input_find("<coordinates.forces")) {
^
==
2 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Show_DFT_DATA.c
Show_DFT_DATA.c:148:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Definition.of.Atomic.Species")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Show_DFT_DATA.c:148:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Definition.of.Atomic.Species")) {
^
( )
Show_DFT_DATA.c:148:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Definition.of.Atomic.Species")) {
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Generate_Wannier.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Allocate.c
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_DFT.c
Generate_Wannier.c:1384:32: warning: using integer absolute value function 'abs' when argument is of floating point type [-Wabsolute-value]
fsize4=Valence_Electrons/2+abs(floor(Total_SpinS))*2+1;}
^
Generate_Wannier.c:1384:32: note: use function 'fabs' instead
fsize4=Valence_Electrons/2+abs(floor(Total_SpinS))*2+1;}
^~~
fabs
Generate_Wannier.c:2599:5: warning: '/*' within block comment [-Wcomment]
/* a parallelized loop for spinsize*kpt_num*tot_bvector*BANDNUM*BANDNUM */
^
Generate_Wannier.c:5226:47: warning: '/*' within block comment [-Wcomment]
dcomplex **Amatrix;/* [band_num][wan_num];* /* for Amatrix[BANDNUM][WANNUM] */
^
Generate_Wannier.c:5817:28: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5817:28: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5817:28: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:5823:28: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5823:28: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5823:28: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:5941:32: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5941:32: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5941:32: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:5946:32: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5946:32: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:5946:32: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:6084:30: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:6084:30: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:6084:30: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:6089:30: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:6089:30: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:6089:30: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:9723:28: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9723:28: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9723:28: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:9741:28: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9741:28: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9741:28: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:9780:28: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9780:28: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9780:28: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
Generate_Wannier.c:9799:28: warning: operator '?:' has lower precedence than '*'; '*' will be evaluated first [-Wparentheses]
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9799:28: note: place parentheses around the '*' expression to silence this warning
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
^
Generate_Wannier.c:9799:28: note: place parentheses around the '?:' expression to evaluate it first
tmp = sgn(tmp)*MIN(fabs(tmp),0.99999999999999999);
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Generate_Wannier.c:48:27: note: expanded from macro 'MIN'
#define MIN(a,b) ((a)<(b))? (a):(b)
~~~~~~~~~^~~~~~~~~~
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_DFT_Dosout.c
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Apply_Bias2e.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Deallocate_Electrode_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Deallocate_RestartFile.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_RestartFile.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreen.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Input_std.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreenLesser.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Input_std_Atoms.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_Electrode_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_GridBound.c
TRAN_Input_std_Atoms.c:114:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Input_std_Atoms.c:114:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
^
( )
TRAN_Input_std_Atoms.c:114:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
^
==
TRAN_Input_std_Atoms.c:245:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.Unitvectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Input_std_Atoms.c:245:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.Unitvectors")) {
^
( )
TRAN_Input_std_Atoms.c:245:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.Unitvectors")) {
^
==
TRAN_Input_std_Atoms.c:272:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<LeftLeadAtoms.SpeciesAndCoordinates") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Input_std_Atoms.c:272:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<LeftLeadAtoms.SpeciesAndCoordinates") ) {
^
( )
TRAN_Input_std_Atoms.c:272:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<LeftLeadAtoms.SpeciesAndCoordinates") ) {
^
==
TRAN_Input_std_Atoms.c:395:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<RightLeadAtoms.SpeciesAndCoordinates") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Input_std_Atoms.c:395:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<RightLeadAtoms.SpeciesAndCoordinates") ) {
^
( )
TRAN_Input_std_Atoms.c:395:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<RightLeadAtoms.SpeciesAndCoordinates") ) {
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_IntegPath.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Output_HKS.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_MP.c
4 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_SelfEnergy.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Output_Trans_HS.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_Hopping_G.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_SurfGreen.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_SurfOverlap.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Add_Density_Lead.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Add_ADensity_Lead.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_Value.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Poisson.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_adjust_Ngrid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Print.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Print_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Lapack_LU_inverse.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Distribute_Node.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Output_HKS_Write_Grid.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Credit.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Check_Region_Lead.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Check_Region.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Check_Input.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DFTDvdW_init.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DFTD3vdW_init.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c neb.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c neb_run.c
neb.c:329:24: warning: '/*' within block comment [-Wcomment]
/* save *_0_rst/*.neb.utot in binary mode */
^
neb.c:647:24: warning: '/*' within block comment [-Wcomment]
/* save *_0_rst/*.neb.utot in binary mode */
^
neb.c:1040:24: warning: '/*' within block comment [-Wcomment]
/* save *_0_rst/*.neb.utot in binary mode */
^
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c neb_check.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c cellopt.c
neb.c:2645:53: warning: implicit conversion from 'double' to 'int' changes value from 0.1 to 0 [-Wliteral-conversion]
input_int("MD.NEB.Spring.Const",&NEB_Spring_Const,0.1); /* hartree/bohr^2 */
~~~~~~~~~ ^~~
neb.c:2672:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.Unitvectors")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
neb.c:2672:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.Unitvectors")) {
^
( )
neb.c:2672:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.Unitvectors")) {
^
==
neb.c:2715:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
neb.c:2715:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
^
( )
neb.c:2715:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Atoms.SpeciesAndCoordinates") ) {
^
==
neb.c:2852:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<NEB.Atoms.SpeciesAndCoordinates") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
neb.c:2852:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<NEB.Atoms.SpeciesAndCoordinates") ) {
^
( )
neb.c:2852:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<NEB.Atoms.SpeciesAndCoordinates") ) {
^
==
neb.c:2999:13: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find(keyword) ) {
~~^~~~~~~~~~~~~~~~~~~~
neb.c:2999:13: note: place parentheses around the assignment to silence this warning
if (fp=input_find(keyword) ) {
^
( )
neb.c:2999:13: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find(keyword) ) {
^
==
neb.c:3102:9: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<MD.Fixed.XYZ")) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
neb.c:3102:9: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<MD.Fixed.XYZ")) {
^
( )
neb.c:3102:9: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<MD.Fixed.XYZ")) {
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Allocate_NC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_DFT_NC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap_NC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_SurfOverlap_NC.c
DFTD3vdW_init.c:33502:3: warning: implicitly declaring library function 'memset' with type 'void *(void *, int, unsigned long)' [-Wimplicit-function-declaration]
memset( maxcn_dftD, -1, sizeof( maxcn_dftD) );
^
DFTD3vdW_init.c:33502:3: note: include the header <string.h> or explicitly provide a declaration for 'memset'
DFTD3vdW_init.c:33502:35: warning: 'memset' call operates on objects of type 'int' while the size is based on a different type 'int *' [-Wsizeof-pointer-memaccess]
memset( maxcn_dftD, -1, sizeof( maxcn_dftD) );
~~~~~~~~~~ ^~~~~~~~~~
DFTD3vdW_init.c:33502:35: note: did you mean to dereference the argument to 'sizeof' (and multiply it by the number of elements)?
memset( maxcn_dftD, -1, sizeof( maxcn_dftD) );
^~~~~~~~~~
DFTD3vdW_init.c:33503:36: warning: 'memset' call operates on objects of type 'double' while the size is based on a different type 'double *' [-Wsizeof-pointer-memaccess]
memset( rcov_dftD, -1.0, sizeof( rcov_dftD) );
~~~~~~~~~ ^~~~~~~~~
DFTD3vdW_init.c:33503:36: note: did you mean to dereference the argument to 'sizeof' (and multiply it by the number of elements)?
memset( rcov_dftD, -1.0, sizeof( rcov_dftD) );
^~~~~~~~~
DFTD3vdW_init.c:33504:36: warning: 'memset' call operates on objects of type 'double' while the size is based on a different type 'double *' [-Wsizeof-pointer-memaccess]
memset( r2r4_dftD, -1.0, sizeof( r2r4_dftD) );
~~~~~~~~~ ^~~~~~~~~
DFTD3vdW_init.c:33504:36: note: did you mean to dereference the argument to 'sizeof' (and multiply it by the number of elements)?
memset( r2r4_dftD, -1.0, sizeof( r2r4_dftD) );
^~~~~~~~~
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_OneTransmission.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis.c
TRAN_Main_Analysis.c:1062:70: warning: equality comparison result unused [-Wunused-comparison]
if (TRAN_Channel_Nenergy * TRAN_Channel_Nkpoint <= 0) TRAN_Channel == 0;
~~~~~~~~~~~~~^~~~
TRAN_Main_Analysis.c:1062:70: note: use '=' to turn this equality comparison into an assignment
if (TRAN_Channel_Nenergy * TRAN_Channel_Nkpoint <= 0) TRAN_Channel == 0;
^~
=
TRAN_Main_Analysis.c:3315:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp = input_find("<NEGF.Channel.kpoint")) {
~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Main_Analysis.c:3315:12: note: place parentheses around the assignment to silence this warning
if (fp = input_find("<NEGF.Channel.kpoint")) {
^
( )
TRAN_Main_Analysis.c:3315:12: note: use '==' to turn this assignment into an equality comparison
if (fp = input_find("<NEGF.Channel.kpoint")) {
^
==
TRAN_Main_Analysis.c:3361:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp = input_find("<NEGF.Channel.Energy")){
~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Main_Analysis.c:3361:12: note: place parentheses around the assignment to silence this warning
if (fp = input_find("<NEGF.Channel.Energy")){
^
( )
TRAN_Main_Analysis.c:3361:12: note: use '==' to turn this assignment into an equality comparison
if (fp = input_find("<NEGF.Channel.Energy")){
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis_NC.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c MTRAN_EigenChannel.c
TRAN_Main_Analysis_NC.c:1008:70: warning: equality comparison result unused [-Wunused-comparison]
if (TRAN_Channel_Nenergy * TRAN_Channel_Nkpoint <= 0) TRAN_Channel == 0;
~~~~~~~~~~~~~^~~~
TRAN_Main_Analysis_NC.c:1008:70: note: use '=' to turn this equality comparison into an assignment
if (TRAN_Channel_Nenergy * TRAN_Channel_Nkpoint <= 0) TRAN_Channel == 0;
^~
=
TRAN_Main_Analysis_NC.c:3383:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp = input_find("<NEGF.Channel.kpoint")) {
~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Main_Analysis_NC.c:3383:12: note: place parentheses around the assignment to silence this warning
if (fp = input_find("<NEGF.Channel.kpoint")) {
^
( )
TRAN_Main_Analysis_NC.c:3383:12: note: use '==' to turn this assignment into an equality comparison
if (fp = input_find("<NEGF.Channel.kpoint")) {
^
==
TRAN_Main_Analysis_NC.c:3429:12: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp = input_find("<NEGF.Channel.Energy")){
~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
TRAN_Main_Analysis_NC.c:3429:12: note: place parentheses around the assignment to silence this warning
if (fp = input_find("<NEGF.Channel.Energy")){
^
( )
TRAN_Main_Analysis_NC.c:3429:12: note: use '==' to turn this assignment into an equality comparison
if (fp = input_find("<NEGF.Channel.Energy")){
^
==
4 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Channel_Functions.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Channel_Output.c
TRAN_Channel_Output.c:127:7: warning: implicitly declaring library function 'strcmp' with type 'int (const char *, const char *)' [-Wimplicit-function-declaration]
if (strcmp(op, "r") == 0) { cmd = 1; }
^
TRAN_Channel_Output.c:127:7: note: include the header <string.h> or explicitly provide a declaration for 'strcmp'
TRAN_Channel_Output.c:400:1: warning: type specifier missing, defaults to 'int' [-Wimplicit-int]
TRAN_Output_ChannelCube(
^
TRAN_Channel_Output.c:516:9: warning: implicit declaration of function 'fsync' is invalid in C99 [-Wimplicit-function-declaration]
fsync(fd);
^
TRAN_Channel_Output.c:547:9: warning: implicit declaration of function 'fsync' is invalid in C99 [-Wimplicit-function-declaration]
fsync(fd);
^
TRAN_Channel_Output.c:566:1: warning: control reaches end of non-void function [-Wreturn-type]
} /* TRAN_Output_ChannelCube */
^
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_CurrentDensity.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_CDen_Main.c
TRAN_CDen_Main.c:817:11: warning: implicit declaration of function 'fsync' is invalid in C99 [-Wimplicit-function-declaration]
fsync(fd);
^
5 warnings generated.
mpif90 -O -Wl,-rpath=/usr/local/lib/gcc8 -fopenmp -c elpa1.f90
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c NBO_Cluster.c
9 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c NBO_Krylov.c
NBO_Krylov.c:471:13: warning: implicit declaration of function 'omp_get_thread_num' is invalid in C99 [-Wimplicit-function-declaration]
OMPID = omp_get_thread_num();
^
NBO_Krylov.c:472:14: warning: implicit declaration of function 'omp_get_num_threads' is invalid in C99 [-Wimplicit-function-declaration]
Nthrds = omp_get_num_threads();
^
NBO_Krylov.c:473:14: warning: implicit declaration of function 'omp_get_num_procs' is invalid in C99 [-Wimplicit-function-declaration]
Nprocs = omp_get_num_procs();
^
1 warning generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx.o exx.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_index.o exx_index.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_vector.o exx_vector.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_log.o exx_log.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_step1.o exx_step1.c
3 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_step2.o exx_step2.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_file_overlap.o exx_file_overlap.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_file_eri.o exx_file_eri.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_interface_openmx.o exx_interface_openmx.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_debug.o exx_debug.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_xc.o exx_xc.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_rhox.o exx_rhox.c
3 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri.o liberi-091216/source/eri.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_ll.o liberi-091216/source/eri_ll.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_sf.o liberi-091216/source/eri_sf.c
liberi-091216/source/eri.c:133:43: warning: passing 'double *[3]' to parameter of type 'const double **' discards qualifiers in nested pointer types [-Wincompatible-pointer-types-discards-qualifiers]
ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx);
^~~~~
./liberi-091216/source/eri.h:532:17: note: passing argument to parameter 'da1' here
const double *da1[3],
^
liberi-091216/source/eri.c:133:56: warning: passing 'double *[3]' to parameter of type 'const double **' discards qualifiers in nested pointer types [-Wincompatible-pointer-types-discards-qualifiers]
ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx);
^~~~~
./liberi-091216/source/eri.h:534:17: note: passing argument to parameter 'da2' here
const double *da2[3],
^
liberi-091216/source/eri.c:228:35: warning: incompatible pointer types passing 'double *' to parameter of type 'double (*)[3][2]' [-Wincompatible-pointer-types]
ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG,
^~~
./liberi-091216/source/eri.h:574:17: note: passing argument to parameter 'dI4' here
double dI4[4][3][2],
^
liberi-091216/source/eri.c:228:50: warning: passing 'double *[3]' to parameter of type 'const double **' discards qualifiers in nested pointer types [-Wincompatible-pointer-types-discards-qualifiers]
ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG,
^~~~
./liberi-091216/source/eri.h:577:17: note: passing argument to parameter 'dF1' here
const double *dF1[3], /* (IN) Overlap matrix */
^
liberi-091216/source/eri.c:228:56: warning: passing 'double *[3]' to parameter of type 'const double **' discards qualifiers in nested pointer types [-Wincompatible-pointer-types-discards-qualifiers]
ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG,
^~~~
./liberi-091216/source/eri.h:578:17: note: passing argument to parameter 'dF2' here
const double *dF2[3], /* (IN) */
^
5 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_interpolate.o liberi-091216/source/eri_interpolate.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_gtbl.o liberi-091216/source/eri_gtbl.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/eri_sbt.o liberi-091216/source/sbt/eri_sbt.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/log/eri_fsbt.o liberi-091216/source/sbt/log/eri_fsbt.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/log/eri_logfsbt.o liberi-091216/source/sbt/log/eri_logfsbt.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/linear/eri_linfsbt.o liberi-091216/source/sbt/linear/eri_linfsbt.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o DosMain.o -c DosMain.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o Tetrahedron_Blochl.o -c Tetrahedron_Blochl.c
DosMain.c:2699:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<WhatSpecies") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2699:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<WhatSpecies") ) {
^
( )
DosMain.c:2699:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<WhatSpecies") ) {
^
==
DosMain.c:2715:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Spe_Total_CNO") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2715:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Spe_Total_CNO") ) {
^
( )
DosMain.c:2715:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Spe_Total_CNO") ) {
^
==
DosMain.c:2738:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Spe_Num_CBasis") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2738:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Spe_Num_CBasis") ) {
^
( )
DosMain.c:2738:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Spe_Num_CBasis") ) {
^
==
DosMain.c:2764:13: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<SpinAngle") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2764:13: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<SpinAngle") ) {
^
( )
DosMain.c:2764:13: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<SpinAngle") ) {
^
==
DosMain.c:2803:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<WhatSpecies") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2803:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<WhatSpecies") ) {
^
( )
DosMain.c:2803:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<WhatSpecies") ) {
^
==
DosMain.c:2819:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Spe_Total_CNO") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2819:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Spe_Total_CNO") ) {
^
( )
DosMain.c:2819:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Spe_Total_CNO") ) {
^
==
DosMain.c:2842:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Spe_Num_CBasis") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2842:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Spe_Num_CBasis") ) {
^
( )
DosMain.c:2842:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Spe_Num_CBasis") ) {
^
==
DosMain.c:2868:13: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<SpinAngle") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2868:13: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<SpinAngle") ) {
^
( )
DosMain.c:2868:13: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<SpinAngle") ) {
^
==
DosMain.c:2883:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("<Eigenvalues") ) {
~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
DosMain.c:2883:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("<Eigenvalues") ) {
^
( )
DosMain.c:2883:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("<Eigenvalues") ) {
^
==
DosMain.c:2975:10: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find(keyword) ) {
~~^~~~~~~~~~~~~~~~~~~~
DosMain.c:2975:10: note: place parentheses around the assignment to silence this warning
if (fp=input_find(keyword) ) {
^
( )
DosMain.c:2975:10: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find(keyword) ) {
^
==
DosMain.c:3028:8: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find(keyword) ) {
~~^~~~~~~~~~~~~~~~~~~~
DosMain.c:3028:8: note: place parentheses around the assignment to silence this warning
if (fp=input_find(keyword) ) {
^
( )
DosMain.c:3028:8: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find(keyword) ) {
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c jx.c
jx.c:435:30: warning: '&&' within '||' [-Wlogical-op-parentheses]
else if (First_Atom==0 && Second_Atom!=0 ||
~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ ~~
jx.c:435:30: note: place parentheses around the '&&' expression to silence this warning
else if (First_Atom==0 && Second_Atom!=0 ||
^
( )
jx.c:436:23: warning: '&&' within '||' [-Wlogical-op-parentheses]
First_Atom!=0 && Second_Atom==0){
~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
jx.c:436:23: note: place parentheses around the '&&' expression to silence this warning
First_Atom!=0 && Second_Atom==0){
^
( )
jx.c:1023:28: warning: '&&' within '||' [-Wlogical-op-parentheses]
else if (First_Atom==0 && Second_Atom!=0 ||
~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ ~~
jx.c:1023:28: note: place parentheses around the '&&' expression to silence this warning
else if (First_Atom==0 && Second_Atom!=0 ||
^
( )
jx.c:1024:28: warning: '&&' within '||' [-Wlogical-op-parentheses]
First_Atom!=0 && Second_Atom==0){
~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
jx.c:1024:28: note: place parentheses around the '&&' expression to silence this warning
First_Atom!=0 && Second_Atom==0){
^
( )
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c read_scfout.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c analysis_example.c
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o esp.o -c esp.c
esp.c:973:11: warning: using the result of an assignment as a condition without parentheses [-Wparentheses]
if (fp=input_find("Dipole") ) {
~~^~~~~~~~~~~~~~~~~~~~~
esp.c:973:11: note: place parentheses around the assignment to silence this warning
if (fp=input_find("Dipole") ) {
^
( )
esp.c:973:11: note: use '==' to turn this assignment into an equality comparison
if (fp=input_find("Dipole") ) {
^
==
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c polB.c
polB.c:209:30: warning: using integer absolute value function 'abs' when argument is of floating point type [-Wabsolute-value]
fsize4=Valence_Electrons/2+abs(floor(Total_SpinS))*2+1;}
^
polB.c:209:30: note: use function 'fabs' instead
fsize4=Valence_Electrons/2+abs(floor(Total_SpinS))*2+1;}
^~~
fabs
polB.c:216:6: warning: '/*' within block comment [-Wcomment]
/*if (SpinP_switch==0){ spinsize=1; fsize2=Valence_Electrons/2; fsize3=fsize+2; }
^
gcc bandgnu13.c -lm -o bandgnu13
1 warning generated.
gcc bin2txt.c -lm -o bin2txt
gcc cube2xsf.c -lm -o cube2xsf
gcc intensity_map.c -lm -o intensity_map
intensity_map.c:148:41: warning: format specifies type 'double *' but the argument has type 'char *' [-Wformat]
while(( ret = fscanf( fp1 , "%lf" , buf )) != EOF ) {
~~~ ^~~
%s
1 warning generated.
gcc md2axsf.c -lm -o md2axsf
md2axsf.c:58:22: warning: format specifies type 'long *' but the argument has type 'int *' [-Wformat]
fscanf(fp1,"%ld",&atomnum);
~~~ ^~~~~~~~
%d
1 warning generated.
mpif90 -O -Wl,-rpath=/usr/local/lib/gcc8 -fopenmp -c solve_evp_real.f90
mpif90 -O -Wl,-rpath=/usr/local/lib/gcc8 -fopenmp -c solve_evp_complex.f90
11 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source analysis_example.o read_scfout.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -fstack-protector-strong -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lomp -lm -o analysis_example
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source esp.o Inputtools.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -fstack-protector-strong -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lomp -lm -o esp
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o DosMain DosMain.o Inputtools.o malloc_multidimarray.o Tetrahedron_Blochl.o -lm
cp esp ../work/esp
cp analysis_example ../work/analysis_example
cp DosMain ../work/DosMain
4 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source jx.o read_scfout.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -fstack-protector-strong -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lomp -lm -o jx
cp jx ../work/jx
2 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source polB.o read_scfout.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -fstack-protector-strong -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lomp -lm -o polB
cp polB ../work/polB
13 warnings generated.
3 warnings generated.
mpicc -O2 -pipe -Dkcomp -msse -msse2 -mfpmath=sse -fstack-protector-strong -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source openmx.o openmx_common.o Input_std.o Inputtools.o init.o LU_inverse.o ReLU_inverse.o truncation.o readfile.o FT_PAO.o FT_NLP.o FT_ProExpn_VNA.o FT_VNA.o FT_ProductPAO.o Hamiltonian_Cluster.o Hamiltonian_Cluster_Hs.o Overlap_Cluster.o Hamiltonian_Band.o Overlap_Band.o Hamiltonian_Cluster_NC.o Hamiltonian_Band_NC.o Hamiltonian_Cluster_SO.o Get_OneD_HS_Col.o SetPara_DFT.o XC_Ceperly_Alder.o XC_CA_LSDA.o XC_PW92C.o XC_PBE.o XC_EX.o DFT.o Mixing_DM.o Mixing_H.o Force.o Stress.o Poisson.o Poisson_ESM.o Cluster_DFT.o Cluster_DFT_ScaLAPACK.o Cluster_DFT_Dosout.o Cluster_DFT_ON2.o Band_DFT_Col.o Band_DFT_Col_ScaLAPACK.o Band_DFT_NonCol.o Band_DFT_kpath.o Band_DFT_MO.o Unfolding_Bands.o Band_DFT_Dosout.o Set_Density_Grid.o Set_Orbitals_Grid.o Set_Aden_Grid.o Gauss_Legendre.o zero_cfrac.o xyz2spherical.o AngularF.o RadialF.o Dr_RadialF.o PhiF.o VNAF.o Dr_VNAF.o VH_AtomF.o Dr_VH_AtomF.o RF_BesselF.o QuickSort.o Nonlocal_RadialF.o KumoF.o Dr_KumoF.o Mulliken_Charge.o Occupation_Number_LDA_U.o Eff_Hub_Pot.o EulerAngle_Spin.o Smoothing_Func.o Orbital_Moment.o Pot_NeutralAtom.o Simple_Mixing_DM.o DIIS_Mixing_DM.o ADIIS_Mixing_DM.o GR_Pulay_DM.o Kerker_Mixing_Rhok.o DIIS_Mixing_Rhok.o Total_Energy.o Contract_Hamiltonian.o Contract_iHNL.o Cont_Matrix0.o Cont_Matrix1.o Cont_Matrix2.o Cont_Matrix3.o Cont_Matrix4.o Opt_Contraction.o Initial_CntCoes.o Initial_CntCoes2.o Set_XC_Grid.o Get_Orbitals.o Get_dOrbitals.o Get_Cnt_Orbitals.o Get_Cnt_dOrbitals.o Gaunt.o Find_CGrids.o MD_pac.o RestartFileDFT.o Output_CompTime.o Merge_LogFile.o Make_FracCoord.o Make_InputFile_with_FinalCoord.o Output_Energy_Decomposition.o Divide_Conquer.o Krylov.o EC.o Divide_Conquer_Dosout.o Eigen_lapack.o Eigen_lapack2.o Eigen_lapack3.o EigenBand_lapack.o Eigen_PReHH.o BroadCast_ReMatrix.o Eigen_PHH.o BroadCast_ComplexMatrix.o lapack_dstedc1.o lapack_dstedc2.o lapack_dstedc3.o lapack_dstegr1.o lapack_dstegr2.o lapack_dstegr3.o lapack_dstevx1.o lapack_dstevx2.o lapack_dstevx3.o lapack_dstevx4.o lapack_dstevx5.o lapack_dsteqr1.o Nonlocal_Basis.o Set_OLP_Kin.o Set_Nonlocal.o Set_ProExpn_VNA.o Set_Hamiltonian.o Set_Vpot.o Voronoi_Charge.o Voronoi_Orbital_Moment.o Fuzzy_Weight.o dampingF.o deri_dampingF.o Spherical_Bessel.o iterout.o iterout_md.o Allocate_Arrays.o Free_Arrays.o Init_List_YOUSO.o outputfile1.o malloc_multidimarray.o PrintMemory.o PrintMemory_Fix.o dtime.o OutData.o OutData_Binary.o init_alloc_first.o File_CntCoes.o SCF2File.o mimic_sse.o Make_Comm_Worlds.o Set_Allocate_Atom2CPU.o Cutoff.o Generating_MP_Special_Kpt.o Maketest.o Runtest.o Memory_Leak_test.o Force_test.o Stress_test.o Show_DFT_DATA.o Generate_Wannier.o TRAN_Allocate.o TRAN_DFT.o TRAN_DFT_Dosout.o TRAN_Apply_Bias2e.o TRAN_Deallocate_Electrode_Grid.o TRAN_Deallocate_RestartFile.o TRAN_RestartFile.o TRAN_Calc_CentGreen.o TRAN_Input_std.o TRAN_Set_CentOverlap.o TRAN_Calc_CentGreenLesser.o TRAN_Input_std_Atoms.o TRAN_Set_Electrode_Grid.o TRAN_Calc_GridBound.o TRAN_Set_IntegPath.o TRAN_Output_HKS.o TRAN_Set_MP.o TRAN_Calc_SelfEnergy.o TRAN_Output_Trans_HS.o TRAN_Calc_Hopping_G.o TRAN_Calc_SurfGreen.o TRAN_Set_SurfOverlap.o TRAN_Add_Density_Lead.o TRAN_Add_ADensity_Lead.o TRAN_Set_Value.o TRAN_Poisson.o TRAN_adjust_Ngrid.o TRAN_Print.o TRAN_Print_Grid.o Lapack_LU_inverse.o TRAN_Distribute_Node.o TRAN_Output_HKS_Write_Grid.o TRAN_Credit.o TRAN_Check_Region_Lead.o TRAN_Check_Region.o TRAN_Check_Input.o DFTDvdW_init.o DFTD3vdW_init.o neb.o neb_run.o neb_check.o cellopt.o TRAN_Allocate_NC.o TRAN_DFT_NC.o TRAN_Set_CentOverlap_NC.o TRAN_Set_SurfOverlap_NC.o TRAN_Calc_OneTransmission.o TRAN_Main_Analysis.o TRAN_Main_Analysis_NC.o MTRAN_EigenChannel.o TRAN_Channel_Functions.o TRAN_Channel_Output.o TRAN_Calc_CurrentDensity.o TRAN_CDen_Main.o elpa1.o solve_evp_real.o solve_evp_complex.o NBO_Cluster.o NBO_Krylov.o exx.o exx_index.o exx_vector.o exx_log.o exx_step1.o exx_step2.o exx_file_overlap.o exx_file_eri.o exx_interface_openmx.o exx_debug.o exx_xc.o exx_rhox.o ./liberi-091216/source/eri.o ./liberi-091216/source/eri_ll.o ./liberi-091216/source/eri_sf.o ./liberi-091216/source/eri_interpolate.o ./liberi-091216/source/eri_gtbl.o ./liberi-091216/source/sbt/eri_sbt.o ./liberi-091216/source/sbt/log/eri_fsbt.o ./liberi-091216/source/sbt/log/eri_logfsbt.o ./liberi-091216/source/sbt/linear/eri_linfsbt.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -fstack-protector-strong -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lomp -lm -o openmx
cp openmx DosMain jx analysis_example esp polB bandgnu13 bin2txt cube2xsf intensity_map md2axsf ../work/
gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/openmx/work/openmx3.8/source'
===========================================================================
=>> Checking for filesystem violations... done
=======================<phase: run-depends >============================
===> openmx-3.8.5_4 depends on executable: gfortran8 - found
===========================================================================
=>> Recording filesystem state for prestage... done
=======================<phase: stage >============================
===> Staging for openmx-3.8.5_4
===> openmx-3.8.5_4 depends on executable: gfortran8 - found
===> Generating temporary packing list
gmake[1]: Entering directory '/wrkdirs/usr/ports/science/openmx/work/openmx3.8/source'
strip openmx
install openmx /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin/openmx
gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/openmx/work/openmx3.8/source'
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/DosMain /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/jx /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/analysis_example /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/esp /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/polB /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/bandgnu13 /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/bin2txt /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/cube2xsf /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/intensity_map /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
install -s -m 555 /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/md2axsf /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/bin
cd /wrkdirs/usr/ports/science/openmx/work/openmx3.8/source/.. && /bin/sh -c '(/usr/bin/find -Ed $1 $3 | /usr/bin/cpio -dumpl $2 >/dev/null 2>&1) && /usr/bin/find -Ed $1 $3 \( -type d -exec /bin/sh -c '\''cd '\''$2'\'' && chmod 755 "$@"'\'' . {} + -o -type f -exec /bin/sh -c '\''cd '\''$2'\'' && chmod 0644 "$@"'\'' . {} + \)' COPYTREE_SHARE DFT_DATA13 /wrkdirs/usr/ports/science/openmx/work/stage/usr/local/share/openmx
====> Compressing man pages (compress-man)
===========================================================================
====> Running Q/A tests (stage-qa)
====> Checking for pkg-plist issues (check-plist)
===> Parsing plist
===> Checking for items in STAGEDIR missing from pkg-plist
===> Checking for items in pkg-plist which are not in STAGEDIR
===> No pkg-plist issues found (check-plist)
=>> Checking for staging violations... done
=======================<phase: package >============================
===> Building package for openmx-3.8.5_4
===========================================================================
=>> Recording filesystem state for preinst... done
=======================<phase: install >============================
===> Installing for openmx-3.8.5_4
===> Checking if openmx is already installed
===> Registering installation for openmx-3.8.5_4
[head-amd64-default-job-01] Installing openmx-3.8.5_4...
===========================================================================
=>> Checking shared library dependencies
0x0000000000000001 NEEDED Shared library: [libblas.so.2]
0x0000000000000001 NEEDED Shared library: [libc.so.7]
0x0000000000000001 NEEDED Shared library: [libfftw3.so.3]
0x0000000000000001 NEEDED Shared library: [libgcc_s.so.1]
0x0000000000000001 NEEDED Shared library: [libgfortran.so.5]
0x0000000000000001 NEEDED Shared library: [liblapack.so.4]
0x0000000000000001 NEEDED Shared library: [libm.so.5]
0x0000000000000001 NEEDED Shared library: [libmpi.so.12]
0x0000000000000001 NEEDED Shared library: [libmpifort.so.12]
0x0000000000000001 NEEDED Shared library: [libomp.so]
0x0000000000000001 NEEDED Shared library: [libthr.so.3]
=======================<phase: deinstall >============================
===> Deinstalling for openmx
===> Deinstalling openmx-3.8.5_4
Updating database digests format: .......... done
Checking integrity... done (0 conflicting)
Deinstallation has been requested for the following 1 packages (of 0 packages in the universe):
Installed packages to be REMOVED:
openmx-3.8.5_4
Number of packages to be removed: 1
The operation will free 304 MiB.
[head-amd64-default-job-01] [1/1] Deinstalling openmx-3.8.5_4...
[head-amd64-default-job-01] [1/1] Deleting files for openmx-3.8.5_4: .......... done
===========================================================================
=>> Checking for extra files and directories
=>> Cleaning up wrkdir
===> Cleaning for openmx-3.8.5_4
build of science/openmx | openmx-3.8.5_4 ended at Mon May 27 17:22:18 EDT 2019
build time: 00:03:51