Can somebody post the particulars for how they submit a parallel run on their system along with the brand/version of MPI they use?
Thanks everyone for recent help with parallel run hanging/crashing. I have determined that it must be a problem with the way that I am submitting the parallel job (i.e. not in my gromacs commands). On David van der Spoel's suggestion I changes comm_mode to linear and constraints to all-bonds. I am still running into the same problem. On Mark Abraham's suggestion I verified that mpirun isn't a local wrapper. However, he also suggested "mpirun may not play nicely with a single-processor script that subsequently runs an MPI child process". I forwarded this to our lab tech who was unsure what this meant or what the alternative was. My original message was: > I am running a system of 185K atoms. The structure is energy minimized and the > dynamics run appears to be going smoothly until it just hangs. The job still > exists on the first node, but none of the 4 nodes are doing any work and I > don't > get any error messages. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
