On Wed, Jun 07, 2023, Evan Biedermann wrote:
>
>I agree that the installation of OpenMPI was probably not done correctly
>because I had to use a work-around to get it installed. There was no
>"configure_openmpi" file when I unpacked the tar,
Aargh...it's amazing how quickly things can get out of date. Go to
amber22_src/AmberTools/src (after doing a serial Amber install), and copy
the configure_openmpi script there to $AMBERHOME/AmberTools/src. Go to the
latter directory (where you have already untarred openmpi-4.0.1.tar.gz) and
run the configure_openmpi script.
I'm not sure this will work, since I don't really understand why cmake is
unable to find the Fortran MPI. I still think the alternative of trying
"yum install" followed by a "module load" might be worth a try, perhaps even
before doing what is described in the preceeding paragraph.
...good luck....dac
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Received on Wed Jun 07 2023 - 18:30:02 PDT
