> If using Tcoupl and Pcoupl = no and then I can compare mdrun x mdrun-gpu, > being my gpu ~2 times slower than only one core. Well, I definitely don't > intended to use mdrun-gpu but I am surprised that it performed that bad (OK, > I am using a low-end GPU, but sander_openmm seems to work fine and very fast > on my mbp).
Just for my curiosity, do you mean that sander_openmm is very fast compared to mdrun/mdrun-gpu, or compared to sander? -- Szilárd -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
