[gmx-users] Running Multiple simulation in single PC

[RJ]

Thanks Carsten.


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 ? 

Carsten