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?
Thanks again
Luis
> On 25 Sep 2024, at 19:15, Timothy Giese <giese025.rutgers.edu> wrote:
>
> You can reconfigure cmake with the option "-DFORCE_DISABLE_LIBS=nlopt" to bypass the compilation of nlopt.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- application/pkcs7-signature attachment: smime.p7s
Received on Wed Sep 25 2024 - 12:30:02 PDT
