Dear gmx-users, I am having a problem with a periodic molecule and the domain decomposition, I wish to use a high number of processors (circa 180, but can obviously be reduced) and therefore need to use the -rdd or -dds flags (I believe), how do these value effect the simulation?
The box size is 11.5 x 11.5 x 45. The polymer contains charged groups every repeating unit. The error I'm getting is (note this is a test run on my home machine, not the cluster): Fatal error: There is no domain decomposition for 4 nodes that is compatible with the given box and a minimum cell size of 61.7923 nm Change the number of nodes or mdrun option -rdd or -dds Regards Rich Manara PhD Student Chemistry Southampton University UK -- 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
