Dear Gromacs Users, I run numerous MD simulations for similar systems of protein in water box and for only one system I encounter error:
*Fatal error:There is no domain decomposition for 4 ranks that is compatible with the givenbox and a minimum cell size of 3.54253 nmChange the number of ranks or mdrun option -rddLook in the log file for details on the domain decomposition* I found explanation of this error in Gromacs documentation as well as on the mailing list, however I still do not understand why I get this only for one system out of many. There is nothing special about it, I mean its size for instance is similar to this of others systems. What can be source of this error, then? Can it be the system size or placement of charge groups? I have changed number of ranks but it does not help. I do not want to play with -rdd, etc. options of mdrun as I am not sure whether Ido not spoil my simulation. Best wishes, Dawid -- 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.