Hi Although not directly related to ompi, I would like to know if anybody uses gromcas with mpi support? The binary is gmx_mpi and it has some options for threading. However, I am also able to run that by using running mpirun before gmx_mpi.
So, it is possible to run gmx_mpi .... and mpirun -np 4 gmx_mpi.... Is the second command OK? Seems to be a two layer mpi calls which may degrade the performance. Any thoughts? Regards, Mahmood
_______________________________________________ users mailing list users@lists.open-mpi.org https://lists.open-mpi.org/mailman/listinfo/users
