On Wed, Sep 25, 2024, LUIS MANUEL SIMÓN RUBIO via AMBER wrote:
>Thanks a lot for the reply! after editing run_cmake to include the flag,
>compilation continued without the previous error… but only to get the
>following:
>
>[ 40%] Built target libcew_mpi
>[ 41%] Built target sqm_common_mpi
>[ 41%] Built target libsqm_mpi
>[ 41%] Built target libpbsa_mpi
>[ 41%] Built target sander_rism_interface_mpi
>[ 41%] Built target octree_mpi
>[ 41%] Building Fortran object AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/modules/quick_mpi_module.f90.o
>/home/amber24_src/AmberTools/src/quick/src/modules/quick_mpi_module.f90:25:8:
>
> use mpi
> 1
>Fatal Error: Cannot read module file ‘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/modules/quick_mpi_module.f90.o] Error 1
>make[1]: *** [AmberTools/src/quick/src/CMakeFiles/libquick_mpi.dir/all] Error 2
>make: *** [all] Error 2
>
>(I downloaded and unzipped openmpi-4.1.6 in
>/home/amber24_src/Ambertools/src/ directory and run configure_openmpi as
>indicated in the manual). There I read that at least a centos7 user had
>reported an error… could I be the second?
Can you look at the output for the "configure_openmpi" step? Was that step
using the same compiler as the one used in compiling Amber itself?
....dac
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Received on Wed Sep 25 2024 - 17:00:01 PDT
