[gmx-users] mpirun and gmx_mpi

[Mahmood Naderan]

No idea? Those who use GPU, which command do they use? gmx or gmx_mpi?

Regards,
Mahmood 




    On Wednesday, July 11, 2018, 11:46:06 AM GMT+4:30, Mahmood Naderan <nt_mahmood at yahoo.com> wrote:  
 
 Hi,Although I have read the manual and I have wrote programs with mpi, the gromacs use of mpi is confusing.
Is it mandatory to use mpirun before gmx_mpi or not?
Can someone shed a light on that?

Regards,
Mahmood