Mahmood Naderan
2018-07-11 07:49:33 UTC
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
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