On Sat, Jan 12, 2013 at 10:04 AM, ramesh cheerla <[email protected]> wrote: > This probably means your > constraint lengths are too long compared to the domain decomposition cell > size. Decrease the number of domain decomposition grid cells
This gives another possible solution. You decrease the number of DD grid cells by reducing the numbers of cores on which mdrun runs. Or, for the same number of cores, you can control better the decomposition using the '-dd' option in case the constraints are aligned to one of the 3 main directions. Cheers, Bogdan -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
