[QE-users] Error in installing thermo_pw 1.2.1 with QE-6.5
Pietro Davide Delugas
pdelugas at sissa.it
Thu Aug 20 10:07:08 CEST 2020
sorry but isn't this
https://www.mail-archive.com/users@lists.quantum-espresso.org/msg38069.html
an answer to the same question posted by you ?
If the case the answer didn't work would be more useful to continue with
the same thread.
Pietro
On 8/20/20 9:58 AM, 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
>
>
>
> _______________________________________________
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