Hey guys, Meanwhile I run my simulations on a CUDA card and must say that I am very very satisfied with it. Nevertheless I have a few questions regarding to a improved performance:
1. Is it possible to perform the PME calculation on the CUDA card? I always see in md.log that the PME runs on the CPU, even if the flag -nb gpu is set. 2. Is it possible to run multiple simulations on one CUDA card? If so, how and is there an engine program for the management (like on clusters)? 3. I don't understand the sense of the mdp option coulomb-modifier. What should it cause? I set it to none. It would be very nice if someone or some people could answer the questions. Many thanks and best, grita -- View this message in context: http://gromacs.5086.x6.nabble.com/Several-questions-about-the-GPU-version-tp5010934.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
