[CP2K-user] [CP2K:11583] Re:

[Tiziano Müller]

Hi Mozdeh,

the output you posted shows that you're using the `gfortran-8.3.0` 
compiler provided by the toolchain rather than version 5.4.0 you 
mentioned. The easiest way to rebuild libxsmm with that version of the 
compiler is to clear all traces of libxsmm and then re-run the toolchain:

   cd tools/toolchain
   rm -rf build/*libxsmm* install/*libxsmm*

Best regards,
Tiziano

On 20.04.19 08:58, Mozhdeh Mohammadpour wrote:
> Dear cp2k users and developers
> While compilation of cp2k by toolchain, I encounter a problem with 
> libxsmm. The error says that this part is installed by a different 
> version of gnu fortran. But i checked the log files that mentioned 
> gfortran version as 5.4.0.
> Is there any comment?
> Error description is presented in the previous email.
> Thanks in advance.
> 
> On Apr 17, 2019 4:47 PM, "Mozhdeh Mohammadpour" 
> <mozhdehmo... at gmail.com <mailto:mozhdehmo... at gmail.com>> 
> wrote:
> 
> 
>             USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
>                1
>     Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1),
>     because it was created by a different version of GNU Fortran
>     compilation terminated.
>     /home/mozhdeh/cp2k/exts/dbcsr/Makefile:484: recipe for target
>     'dbcsr_machine.o' failed
>     make[4]: *** [dbcsr_machine.o] Error 1
>     /home/mozhdeh/cp2k/tools/build_utils/fypp -n
>     --line-marker-format=gfortran5
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90
>     Makefile:135: recipe for target 'libdbcsr' failed
>     make[3]: *** [libdbcsr] Error 2
>     /home/mozhdeh/cp2k/exts/Makefile.inc:16: recipe for target 'dbcsr'
>     failed
>     make[2]: *** [dbcsr] Error 2
>     make[2]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F:77:10:
> 
>             USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
>                1
>     Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1),
>     because it was created by a different version of GNU Fortran
>     compilation terminated.
>     /home/mozhdeh/cp2k/exts/dbcsr/Makefile:484: recipe for target
>     'dbcsr_machine.o' failed
>     make[4]: *** [dbcsr_machine.o] Error 1
>     Makefile:135: recipe for target 'libdbcsr' failed
>     make[3]: *** [libdbcsr] Error 2
>     /home/mozhdeh/cp2k/exts/Makefile.inc:16: recipe for target 'dbcsr'
>     failed
>     make[2]: *** [dbcsr] Error 2
>     make[2]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F:77:10:
> 
>             USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
>                1
>     Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1),
>     because it was created by a different version of GNU Fortran
>     compilation terminated.
>     /home/mozhdeh/cp2k/exts/dbcsr/Makefile:484: recipe for target
>     'dbcsr_machine.o' failed
>     make[4]: *** [dbcsr_machine.o] Error 1
>     Makefile:135: recipe for target 'libdbcsr' failed
>     make[3]: *** [libdbcsr] Error 2
>     /home/mozhdeh/cp2k/exts/Makefile.inc:16: recipe for target 'dbcsr'
>     failed
>     make[2]: *** [dbcsr] Error 2
>     make[2]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/tools/build_utils/fypp -n
>     --line-marker-format=gfortran5
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90
>     /home/mozhdeh/cp2k/tools/toolchain/install/gcc-8.3.0/bin/gfortran -c
>     -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops    
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/openblas-0.3.5/include' -I'/home/mozhdeh/cp2k/tools/toolchain/install/fftw-3.3.8/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libint-1.1.6/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxc-4.3.4/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxsmm-1.10.0/include' 
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/gsl-2.5/include'
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/spglib-1.12.2/include
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/hdf5-1.10.4/include  
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/json_fortran-7.0.0/include'
>     -ffree-form -std=f2008 -fimplicit-none  -Werror=aliasing
>     -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow
>     -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs
>     -Werror=target-lifetime -Werror=underflow
>     -Werror=unused-but-set-variable -Werror=unused-variable
>     -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip
>     -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only 
>     -D__LIBXSMM   -D__FFTW3  -D__LIBINT -D__LIBINT_MAX_AM=6
>     -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn    -D__SPGLIB   
>     -D__JSON   -D__SHORT_FILE__="\"dbcsr_machine_internal.F\""
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src/base/'
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src' dbcsr_machine_internal.F90
>     mpif90 -c -march=native -fno-omit-frame-pointer -g  -O3
>     -funroll-loops  -fopenmp
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/openmpi-3.1.3/include'  -I'/home/mozhdeh/cp2k/tools/toolchain/install/openblas-0.3.5/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/fftw-3.3.8/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libint-1.1.6/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxc-4.3.4/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxsmm-1.10.0/include' -I'/home/mozhdeh/cp2k/tools/toolchain/install/elpa-2017.05.003/include/elpa_openmp-2017.05.003/modules'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/elpa-2017.05.003/include/elpa_openmp-2017.05.003/elpa'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/gsl-2.5/include'
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/spglib-1.12.2/include
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/hdf5-1.10.4/include
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/libvdwxc-master-429a80027a2ec2c97e2f6d9a3dc84843f2739865/include
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/sirius-6.1.2/include
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/json_fortran-7.0.0/include'
>     -ffree-form -std=f2008 -fimplicit-none  -Werror=aliasing
>     -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow
>     -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs
>     -Werror=target-lifetime -Werror=underflow
>     -Werror=unused-but-set-variable -Werror=unused-variable
>     -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip
>     -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only 
>     -D__LIBXSMM  -D__parallel  -D__FFTW3  -D__LIBINT -D__LIBINT_MAX_AM=6
>     -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn -D__SCALAPACK
>     -D__ELPA=201705 -D__GSL -D__SPGLIB -D__HDF5 -D__LIBVDWXC -D__SIRIUS
>     -D__JSON   -D__SHORT_FILE__="\"dbcsr_machine.F\""
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src/base/'
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src' dbcsr_machine.F90
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F:77:10:
> 
>             USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
>                1
>     Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1),
>     because it was created by a different version of GNU Fortran
>     compilation terminated.
>     /home/mozhdeh/cp2k/exts/dbcsr/Makefile:484: recipe for target
>     'dbcsr_machine.o' failed
>     make[4]: *** [dbcsr_machine.o] Error 1
>     Makefile:135: recipe for target 'libdbcsr' failed
>     make[3]: *** [libdbcsr] Error 2
>     /home/mozhdeh/cp2k/exts/Makefile.inc:16: recipe for target 'dbcsr'
>     failed
>     make[2]: *** [dbcsr] Error 2
>     make[2]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/tools/toolchain/install/gcc-8.3.0/bin/gfortran -c
>     -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops 
>     -fopenmp  
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/openblas-0.3.5/include' -I'/home/mozhdeh/cp2k/tools/toolchain/install/fftw-3.3.8/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libint-1.1.6/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxc-4.3.4/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxsmm-1.10.0/include' 
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/gsl-2.5/include'
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/spglib-1.12.2/include
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/hdf5-1.10.4/include  
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/json_fortran-7.0.0/include'
>     -ffree-form -std=f2008 -fimplicit-none  -Werror=aliasing
>     -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow
>     -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs
>     -Werror=target-lifetime -Werror=underflow
>     -Werror=unused-but-set-variable -Werror=unused-variable
>     -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip
>     -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only 
>     -D__LIBXSMM   -D__FFTW3  -D__LIBINT -D__LIBINT_MAX_AM=6
>     -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn    -D__SPGLIB   
>     -D__JSON   -D__SHORT_FILE__="\"dbcsr_machine.F\""
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src/base/'
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src' dbcsr_machine.F90
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F:77:10:
> 
>             USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
>                1
>     Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1),
>     because it was created by a different version of GNU Fortran
>     compilation terminated.
>     /home/mozhdeh/cp2k/exts/dbcsr/Makefile:484: recipe for target
>     'dbcsr_machine.o' failed
>     make[4]: *** [dbcsr_machine.o] Error 1
>     Makefile:135: recipe for target 'libdbcsr' failed
>     make[3]: *** [libdbcsr] Error 2
>     /home/mozhdeh/cp2k/exts/Makefile.inc:16: recipe for target 'dbcsr'
>     failed
>     make[2]: *** [dbcsr] Error 2
>     make[2]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/tools/build_utils/fypp -n
>     --line-marker-format=gfortran5
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F dbcsr_machine.F90
>     /home/mozhdeh/cp2k/tools/toolchain/install/gcc-8.3.0/bin/gfortran -c
>     -march=native -fno-omit-frame-pointer -g  -O3 -funroll-loops    
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/openblas-0.3.5/include' -I'/home/mozhdeh/cp2k/tools/toolchain/install/fftw-3.3.8/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libint-1.1.6/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxc-4.3.4/include'
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/libxsmm-1.10.0/include' 
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/gsl-2.5/include'
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/spglib-1.12.2/include
>     -I/home/mozhdeh/cp2k/tools/toolchain/install/hdf5-1.10.4/include  
>     -I'/home/mozhdeh/cp2k/tools/toolchain/install/json_fortran-7.0.0/include'
>     -ffree-form -std=f2008 -fimplicit-none  -Werror=aliasing
>     -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow
>     -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs
>     -Werror=target-lifetime -Werror=underflow
>     -Werror=unused-but-set-variable -Werror=unused-variable
>     -Werror=unused-dummy-argument -Werror=conversion -Werror=zerotrip
>     -Werror=uninitialized -Wno-maybe-uninitialized -Wuse-without-only 
>     -D__LIBXSMM   -D__FFTW3  -D__LIBINT -D__LIBINT_MAX_AM=6
>     -D__LIBDERIV_MAX_AM1=5 -D__LIBXC -D__HAS_smm_dnn    -D__SPGLIB   
>     -D__JSON   -D__SHORT_FILE__="\"dbcsr_machine.F\""
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src/base/'
>     -I'/home/mozhdeh/cp2k/exts/dbcsr/src' dbcsr_machine.F90
>     /home/mozhdeh/cp2k/exts/dbcsr/src/base/dbcsr_machine.F:77:10:
> 
>             USE libxsmm, ONLY: libxsmm_timer_tick, libxsmm_timer_duration
>                1
>     Fatal Error: Cannot read module file ‘libxsmm.mod’ opened at (1),
>     because it was created by a different version of GNU Fortran
>     compilation terminated.
>     /home/mozhdeh/cp2k/exts/dbcsr/Makefile:484: recipe for target
>     'dbcsr_machine.o' failed
>     make[4]: *** [dbcsr_machine.o] Error 1
>     Makefile:135: recipe for target 'libdbcsr' failed
>     make[3]: *** [libdbcsr] Error 2
>     /home/mozhdeh/cp2k/exts/Makefile.inc:16: recipe for target 'dbcsr'
>     failed
>     make[2]: *** [dbcsr] Error 2
>     make[2]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/Makefile:120: recipe for target 'ssmp' failed
>     make[1]: *** [ssmp] Error 2
>     make[1]: *** Waiting for unfinished jobs....
>     /home/mozhdeh/cp2k/Makefile:120: recipe for target 'sopt' failed
>     make[1]: *** [sopt] Error 2
>     /home/mozhdeh/cp2k/Makefile:120: recipe for target 'popt' failed
>     make[1]: *** [popt] Error 2
>     /home/mozhdeh/cp2k/Makefile:120: recipe for target 'psmp' failed
>     make[1]: *** [psmp] Error 2
>     /home/mozhdeh/cp2k/Makefile:120: recipe for target 'pdbg' failed
>     make[1]: *** [pdbg] Error 2
>     /home/mozhdeh/cp2k/Makefile:120: recipe for target 'sdbg' failed
>     make[1]: *** [sdbg] Error 2
>     Makefile:115: recipe for target 'all' failed
>     make: *** [all] Error 2
> 
> 
>     On Wed, Apr 17, 2019 at 4:21 PM Mozhdeh Mohammadpour
>     <mozhdehmo... at gmail.com
>     <mailto:mozhdehmo... at gmail.com>> wrote:
> 
>         ==================== Installing libvdwxc ====================
>         libvdwxc-master-429a80027a2ec2c97e2f6d9a3dc84843f2739865.tar.gz
>         is found
>         Installing from scratch into
>         /home/mozhdeh/cp2k/tools/toolchain/install/libvdwxc-master-429a80027a2ec2c97e2f6d9a3dc84843f2739865
>         ERROR: (./scripts/install_libvdwxc.sh, line 65) Non-zero exit
>         code detected.
> 
> 
>         -- 
>         Mozhdeh Mohammapour
>         PhD, Physical Chemistry
>         Chemistry and chemical engineering research center of Iran
> 
> 
> 
>     -- 
>     Mozhdeh Mohammapour
>     PhD, Physical Chemistry
>     Chemistry and chemical engineering research center of Iran
> 
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-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch