Respected Sir, In my lab we have recently installed a GPU Tesla V-100-PCIE, and installed gromacs-2018.4. I tried to check its performance. I ran a job 128 dmpc lipid simulation with 23453 atom in my lab cpu with 4 processor with 2 threading in each processor. There it's performance is ~8 ns/day. But when the same job I tried to run in gpu using the following command gmx_mpi mdrun -v -deffnm npt -nb gpu, not only it is taking 40 cpu processors but also it is very slow. Performnce is ~1 ns/day. Can you please suggest me why is it taking the 40 cpu processors and how to get the maximum performance?
Thanking you in advance. Sincerely, Bidhan Chandra Garain Ph.D. Student, JNCASR Bangalore, India -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
