This is a well known problem corrected in commit cfae773 of March 3 2020. You can make the same changes on thermo_pw 1.2.1. You need to change 3 files, or you can update to the 1.3.0 version that also works with QE-6.5 and has already the corrections.
Andrea On Thu, 2020-08-20 at 13:28 +0530, Pooja Vyas wrote: > While I try to install thermo_pw, on giving the command "make > thermo_pw", I > get following error, > > test -d bin || mkdir bin > ( cd clib ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/clib' > make[1]: Nothing to be done for 'all'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/clib' > cd install ; make -f extlibs_makefile libiotk > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/install' > if test ! -d ../S3DE; then \ > (gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \ > if test -e Makefile_iotk; then \ > (cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \ > if test -e iotk_config.h; then \ > (cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi > cd ../S3DE/iotk/src; make lib+util; > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/S3DE/iotk/src' > make[2]: Nothing to be done for 'lib+util'. > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/S3DE/iotk/src' > cd ../bin; ln -fs ../S3DE/iotk/tools/iotk .; \ > ln -fs ../S3DE/iotk/src/iotk.x .; \ > ln -fs ../S3DE/iotk/src/iotk_print_kinds.x .; \ > # middle instruction needed for windows > cd ../; rm -rf iotk ; ln -fs S3DE/iotk iotk > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/install' > cd install ; make -f extlibs_makefile libfox > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/install' > echo > > if test ! -d ../FoX; then \ > mkdir ../FoX; \ > (gzip -dc ../archive/fox.tgz | (cd ../FoX; tar -xvf -)); \ > cd ../FoX/fox/; export FC=gfortran; export FCFLAGS=""; \ > ./configure --prefix=/home/pooja/q-e-qe-6.5//FoX ;\ > make install; cd ../; rm -fr fox;fi > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/install' > ( cd UtilXlib ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/UtilXlib' > make[1]: Nothing to be done for 'all'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/UtilXlib' > cd install ; make -f extlibs_makefile liblapack > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/install' > if test ! -e ../LAPACK; then (gzip -dc ../archive/`echo " > http://www.netlib.org/lapack/lapack-3.6.1.tgz"; | sed > 's/.*\///;s/.*=//'` | > (cd ../ ; tar -xvf - ) ) ; if test "`echo $?`" -ne "0" ; then echo > "*** > Unable to download http://www.netlib.org/lapack/lapack-3.6.1.tgz."; ; > echo > "*** Verify that the url is correct." ; exit 1 ; else (cd ../ ; ln -s > lapack-3.6.1 LAPACK) ; fi ; fi > if test ! -e ../LAPACK/liblapack.a && test -e make_lapack.inc; then \ > (cp make_lapack.inc ../LAPACK/make.inc; \ > cd ../LAPACK; make blaslib lapacklib); else \ > (echo "no configuration file found for lapack"; \ > echo "run configure from main QE dir"; exit); fi > no configuration file found for lapack > run configure from main QE dir > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/install' > cd install ; make -f extlibs_makefile libcuda > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/install' > make[1]: Nothing to be done for 'libcuda'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/install' > ( cd LAXlib ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/LAXlib' > make[1]: Nothing to be done for 'all'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/LAXlib' > ( cd FFTXlib ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/FFTXlib' > make[1]: Nothing to be done for 'all'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/FFTXlib' > ( cd Modules ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/Modules' > make[1]: Nothing to be done for 'all'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/Modules' > ( cd KS_Solvers ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/KS_Solvers' > if test -d Davidson_RCI ; then \ > ( cd Davidson_RCI ; make all || exit 1 ) ; fi > make[2]: Entering directory '/home/pooja/q-e-qe- > 6.5/KS_Solvers/Davidson_RCI' > make[2]: Nothing to be done for 'all'. > make[2]: Leaving directory '/home/pooja/q-e-qe- > 6.5/KS_Solvers/Davidson_RCI' > if test -d Davidson ; then \ > ( cd Davidson ; make all || exit 1 ) ; fi > make[2]: Entering directory '/home/pooja/q-e-qe- > 6.5/KS_Solvers/Davidson' > make[2]: Nothing to be done for 'all'. > make[2]: Leaving directory '/home/pooja/q-e-qe- > 6.5/KS_Solvers/Davidson' > if test -d CG ; then \ > ( cd CG ; make all || exit 1 ) ; fi > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/KS_Solvers/CG' > make[2]: Nothing to be done for 'all'. > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/KS_Solvers/CG' > if test -d PPCG ; then \ > ( cd PPCG ; make all || exit 1 ) ; fi > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/KS_Solvers/PPCG' > make[2]: Nothing to be done for 'all'. > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/KS_Solvers/PPCG' > if test -d ParO ; then \ > ( cd ParO ; make all || exit 1 ) ; fi > if test -d NewSolver ; then \ > ( cd NewSolver ; make all || exit 1 ) ; fi > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/KS_Solvers' > ( cd dft-d3 ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/dft-d3' > if test -n "" ; then \ > ( cd ../; make || exit 1 ) ; fi > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/dft-d3' > if test -d PW ; then \ > ( cd PW ; make pw-lib || exit 1) ; fi > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/PW' > ( cd src ; make libpw.a || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PW/src' > make[2]: 'libpw.a' is up to date. > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PW/src' > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/PW' > if test -d PW ; then \ > ( cd PW ; make TLDEPS= all || exit 1) ; fi > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/PW' > ( cd src ; make all || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PW/src' > if test -n "" ; then \ > ( cd ../.. ; make || exit 1 ) ; fi > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PW/src' > ( cd tools ; make all || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PW/tools' > if test -n "" ; then \ > ( cd ../.. ; make || exit 1 ) ; fi > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PW/tools' > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/PW' > ( cd LR_Modules ; make TLDEPS= all || exit 1 ) > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/LR_Modules' > make[1]: Nothing to be done for 'all'. > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/LR_Modules' > if test -d PHonon; then \ > ( cd PHonon; make ph-lib || exit 1) ; fi > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/PHonon' > ( cd PH ; make libs-ph || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PHonon/PH' > make[2]: Nothing to be done for 'libs-ph'. > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PHonon/PH' > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/PHonon' > if test -d PHonon; then \ > ( cd PHonon; make TLDEPS= all || exit 1) ; fi > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/PHonon' > ( cd PH ; make all || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PHonon/PH' > if test -n "" ; then \ > ( cd ../.. ; make || exit 1 ) ; fi > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PHonon/PH' > ( cd Gamma ; make all || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PHonon/Gamma' > if test -n "" ; then \ > ( cd ../.. ; make || exit 1 ) ; fi > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PHonon/Gamma' > ( cd FD ; make all || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PHonon/FD' > if test -n "" ; then \ > ( cd ../.. ; make || exit 1 ) ; fi > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PHonon/FD' > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/PHonon' > if test -d PP ; then \ > ( cd PP ; make TLDEPS= all || exit 1 ) ; fi > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/PP' > if test -d src ; then \ > ( cd src ; make || exit 1 ) ; fi > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/PP/src' > if test -n "" ; then \ > ( cd ../.. ; make || exit 1 ) ; fi > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/PP/src' > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/PP' > if test -d thermo_pw; then \ > ( cd thermo_pw; make TLDEPS= all || exit 1) ; fi > make[1]: Entering directory '/home/pooja/q-e-qe-6.5/thermo_pw' > ( cd lib ; make all || exit 1 ) > make[2]: Entering directory '/home/pooja/q-e-qe-6.5/thermo_pw/lib' > mpif90 -O3 -g -x f95-cpp-input -D__FFTW -D__MPI > -I/home/pooja/q-e-qe-6.5//include -I/home/pooja/q-e-qe- > 6.5//FoX/finclude > -I/home/pooja/q-e-qe-6.5//S3DE/iotk/include/ > -I/home/pooja/q-e-qe-6.5//iotk/src -I/home/pooja/q-e-qe-6.5//Modules > -I/home/pooja/q-e-qe-6.5//FFTXlib -I/home/pooja/q-e-qe-6.5//LAXlib > -I/home/pooja/q-e-qe-6.5//UtilXlib -I/home/pooja/q-e-qe- > 6.5//FoX/finclude > -I. -c voigt.f90 > voigt.f90:143:27: > > 142 | DO ij=1,6 > | 2 > 143 | CALL voigt_index(i,j,ij,.FALSE.) > | 1 > Error: Variable ‘ij’ at (1) not definable inside loop beginning at > (2) as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:145:30: > > 144 | DO mn=1,6 > | 2 > 145 | CALL voigt_index(m,n,mn,.FALSE.) > | 1 > Error: Variable ‘mn’ at (1) not definable inside loop beginning at > (2) as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:153:26: > > 151 | DO i=1,3 > | 2 > 152 | DO j=1,3 > 153 | CALL voigt_index(i,j,ij,.TRUE.) > | 1 > Error: Variable ‘i’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:153:28: > > 152 | DO j=1,3 > | 2 > 153 | CALL voigt_index(i,j,ij,.TRUE.) > | 1 > Error: Variable ‘j’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:156:32: > > 154 | DO m=1,3 > | 2 > 155 | DO n=1,3 > 156 | CALL voigt_index(m,n,mn,.TRUE.) > | 1 > Error: Variable ‘m’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:156:34: > > 155 | DO n=1,3 > | 2 > 156 | CALL voigt_index(m,n,mn,.TRUE.) > | 1 > Error: Variable ‘n’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:110:27: > > 109 | DO ij=1,6 > | 2 > 110 | CALL voigt_index(i,j,ij,.FALSE.) > | 1 > Error: Variable ‘ij’ at (1) not definable inside loop beginning at > (2) as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:117:26: > > 115 | DO i=1,3 > | 2 > 116 | DO j=1,3 > 117 | CALL voigt_index(i,j,ij,.TRUE.) > | 1 > Error: Variable ‘i’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:117:28: > > 116 | DO j=1,3 > | 2 > 117 | CALL voigt_index(i,j,ij,.TRUE.) > | 1 > Error: Variable ‘j’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:77:27: > > 76 | DO ij=1,6 > | 2 > 77 | CALL voigt_index(i,j,ij,.FALSE.) > | 1 > Error: Variable ‘ij’ at (1) not definable inside loop beginning at > (2) as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:84:26: > > 82 | DO i=1,3 > | 2 > 83 | DO j=1,3 > 84 | CALL voigt_index(i,j,ij,.TRUE.) > | 1 > Error: Variable ‘i’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > voigt.f90:84:28: > > 83 | DO j=1,3 > | 2 > 84 | CALL voigt_index(i,j,ij,.TRUE.) > | 1 > Error: Variable ‘j’ at (1) not definable inside loop beginning at (2) > as > INTENT(INOUT) argument to subroutine ‘voigt_index’ > make[2]: *** [../../make.inc:16: voigt.o] Error 1 > make[2]: Leaving directory '/home/pooja/q-e-qe-6.5/thermo_pw/lib' > make[1]: *** [Makefile:15: thermo_lib] Error 1 > make[1]: Leaving directory '/home/pooja/q-e-qe-6.5/thermo_pw' > make: *** [Makefile:91: thermo_pw] Error 1 > > > Due to this error, thermo_pw.x executable is not created in bin > folder. Can > anyone let me know the reason of the error and a way to solve it? > Thanks > _______________________________________________ > Quantum ESPRESSO is supported by MaX ( > www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: [email protected] _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
