Hi GROMACS users, It's come to our attention that some changes we made in 4.6.2 to the way we detect low-level hardware attributes sometimes affects mdrun performance. Specifically: * using real MPI will likely lead to lower performance than 4.6.1, if GROMACS managing the setting of thread affinities would have been a good thing * on Mac OS, mdrun might hang completely If the simulation runs, then it's correct :-)
We've identified fixes and will release 4.6.3 in the next few days. In the meantime, we suggest not bothering to install 4.6.2. Apologies, Mark -- 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
