Hi, For the past 2 years I have been running Gromacs on a standard Linux cluster (with nodes containing 24 CPUs). As you know, Gromacs scales excellently (and is super efficient), and since the CPUs are Intel Xeon 2.4 GHz processors, the simulations run quite fast (I can run 10 ns of ~7000 atoms in ~2 days on 24 CPUs). Can I expect GPUs to be any or much faster than these CPUs?
There is a rumor in the department that GPUs can give a performance increase of 10-40 times relative to CPUs, although that group is using another MD package. I am curious whether this performance improvement is typical. (I would not expect it for Gromacs, though, since Gromacs is already super fast!) If you have time, do you know of any review or opinion papers that might discuss the advantages (advantages of performance or otherwise) of using GPUs over CPUs? Thanks for your time! Andrew DeYoung Carnegie Mellon University -- 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
