[QE-users] Error in installing thermo_pw 1.2.1 with QE-6.5
Pooja Vyas
poojavyas595 at gmail.com
Thu Aug 20 09:58:29 CEST 2020
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
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