[gmx-users] Running Multiple simulation in single PC.
rajiv at kaist.ac.kr
Thu Apr 30 04:14:50 CEST 2015
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.
More information about the gromacs.org_gmx-users