[gmx-users] Running Multiple simulation in single PC.

라지브간디 rajiv at kaist.ac.kr
Thu Apr 30 04:14:50 CEST 2015

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.

Also, i have a another system where it has 8 CPU. how can i run multiple simulation in only cpu content PC?

Appreciated for your suggestion. Thanks a lot.

> On 29 Apr 2015, at 10:59, RJ <rajiv at kaist.ac.kr> wrote: 
> Dear all, 
> I have a 64 bit PC with 16 processor with GTX460 gpu and wants to run multiple simulation. 
> One simulation takes (~120 aa length) for 100ns about 4-5 days, whereas when i subject same protein into 100ns, it shows it will take over a month to finish. 
> Is that any command that can use the cpu and gbu parallel? Thanks for your suggestion. 


Compile with CUDA and OpenMP support, then mdrun will take care of the rest. 


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