I keep getting bounce messages from the list, so in case things didn't get posted...
1. We enabled PM -- still times out. 2. 3-4 days ago we had very fast runs with GPU (2016.4), so I don't know if we miraculously broke everything to the point where our $25K box performs worse than Mark's laptop. That in itself might be publishable... 3. I will run tests on a system, for which I know the performance with 2016.4 so we can compare, especially with -pme gpu Thanks, Alex -- 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.
