I would expect the applied-field code got no work during the lead-up to 4.6, but I can see no obvious reason why it should run slowly. Please use diff on your .log files and gmxcheck on your .tpr files to see what can be learned about what is actually different.
Mark On Mon, Jul 1, 2013 at 6:44 PM, Quick, Ross <raqu...@indiana.edu> wrote: > Hello, > > I am using the oscillatory electric field function in gromacs 4.6.1. I have > experienced slow downs in computation efficiency (50% decrease or more) > between the oscillatory electric field simulations and simulations with no > applied electric field. Has anyone experience similar decreases in > efficiency? Has anyone overcome these problems? I am simulating a large > system (e.g. millions of atoms including explicit water) and that could be > part of the problem, but I still experience large slow downs going from no > applied field to applied oscillatory field. > > Any insights are appreciated. Thanks so much, > > Ross Quick > -- > 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 -- 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
