[gmx-users] Error while scaling mdrun for more number of nodes.

Hi There, I was trying to rum mdrun on large number of nodes. When I tried the run on 57 nodes, I got an error which is pasted below. --- Program mpi_mdrun_d, VERSION 4.0.3 Source code file: domdec_setup.c, line: 147 Fatal error: Could not find

RE: [gmx-users] Error while scaling mdrun for more number of nodes.

Hi, Why do you want to run on exactly 57 nodes? That is a nasty prime number. I guess 56 or 60 nodes would work fine. Berk Date: Fri, 25 Sep 2009 14:39:27 +0530 From: viveksharma.i...@gmail.com To: gmx-users@gromacs.org Subject: [gmx-users] Error while scaling mdrun for more number of nodes

RE: [gmx-users] Error while scaling mdrun for more number of nodes.

is inconvenient for PME, whether you use separate PME nodes or not. Berk Date: Fri, 25 Sep 2009 15:16:40 +0530 Subject: Re: [gmx-users] Error while scaling mdrun for more number of nodes. From: viveksharma.i...@gmail.com To: gmx-users@gromacs.org Hi Berk, Thanks for your suggestion