Hello,
I am trying to compile AMBER24 and I am having this error
[ 29%] Building Fortran object AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/modules/quick_mpi_module.f90.o
/home/myasalme/Softwares/AMBER/amber24_src/AmberTools/src/quick/src/modules/quick_mpi_module.f90:25:9:
25 | use mpi
| 1
Fatal Error: Cannot read module file ‘/cluster/mpi/openmpi/4.1.5-gcc/lib/mpi.mod’ opened at (1), because it was created by a different version of GNU Fortran
compilation terminated.
make[2]: *** [AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/build.make:75: AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/modules/quick_mpi_module.f90.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:8956: AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/all] Error 2
make: *** [Makefile:156: all] Error 2
My modified run_cmake is:
cmake $AMBER_PREFIX/amber24_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
-DCOMPILER=GNU \
-DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE \
-DTRUST_SYSTEM_LIBS=TRUE \
2>&1 | tee cmake.log
I saw the same problem in the thread
http://archive.ambermd.org/202409/0142.html and did what is suggested in the AmberTools/src/nlopt/CMakeLists.txt, but it did not work.
I also tried to use a different MPI Fortran compiler (mpiifort instead of gfortran) with the MPI_Fortran_COMPILER flag with no success, as:
-DMPI_Fortran_COMPILER=/cluster/mpi/openmpi/4.1.5-gcc/bin/mpifort
Any help will be greatly appreciated.
Best,
Yasser
Wichtiger Hinweis: Die Information in dieser E-Mail ist vertraulich. Sie ist ausschließlich für den Adressaten bestimmt. Sollten Sie nicht der für diese E-Mail bestimmte Adressat sein, unterrichten Sie bitte den Absender und vernichten Sie diese Mail. Vielen Dank.
Unbeschadet der Korrespondenz per E-Mail, sind unsere Erklärungen ausschließlich final rechtsverbindlich, wenn sie in herkömmlicher Schriftform (mit eigenhändiger Unterschrift) oder durch Übermittlung eines solchen Schriftstücks per Telefax erfolgen.
Important note: The information included in this e-mail is confidential. It is solely intended for the recipient. If you are not the intended recipient of this e-mail please contact the sender and delete this message. Thank you. Without prejudice of e-mail correspondence, our statements are only legally binding when they are made in the conventional written form (with personal signature) or when such documents are sent by fax.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 21 2024 - 08:00:02 PDT
