[gmx-users] Running Multiple simulation in single PC
rajiv at kaist.ac.kr
Thu Apr 30 12:05:08 CEST 2015
I already compiled with openmpi and it works fine. I also found that -ntomp and -ntmpi functions and used them,
> On 30 Apr 2015, at 04:14, ????? <rajiv at kaist.ac.kr> wrote:
> Dear Carsten,
> Thank you for suggestion.
> Should i need to compile with OpenMP even if i dont use cluster nodes? As i said its a single PC with 16 CPU and 1 GPU.
It makes sense if you want to use all 16 cores together with a GPU.
By the way, threading never hurts, so I would always compile it in
even if I don?t use it in all cases.
> Also, i have a another system where it has 8 CPU. how can i run multiple simulation in only cpu content PC?
mdrun -ntomp 8 ?
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