Hi Trey, We use VASP with SLURM at our facility (the NZ eScience Infrastructure). My colleague who sorted this out for us when we had similar problems is on vacation right now, but I’ve included him on Cc so that he can respond when he has a moment. But my recollection is that it has something to do with locked memory limits (ulimit -l should be set to unlimited on all compute nodes).
Jordi, would you be so kind as to respond to Trey if there’s something else as well? Because this does sound eerily familiar to the problem that you fixed in December. Best regards, Ben Roberts > On 29/01/2015, at 10:10 am, Trey Dockendorf <treyd...@tamu.edu> wrote: > > This is a long shot, but does anyone that's running SLURM know of users that > run VASP? In our Torque environment we had users that ran VASP using OpenMPI > and once we migrated to SLURM those users are unable to run VASP. The > application segfaults very early on when it starts. This occurs with both > OpenMPI and MVAPICH2. At first I thought this was due to cgroups but our > test environment had cgroups disabled and VASP still segfaulted. My hunch is > that VASP is doing something it shouldn't and the ulimits for a SLURM job > cause it problems. Like I said it's a long shot, but be interested to know > if anyone out there has users successfully running VASP under SLURM. Feel > free to ping me off-list if you wish, since this isn't really a SLURM issue > (at least I don't have evidence to think the issue is SLURM). > > Thanks, > - Trey > > ============================= > > Trey Dockendorf > Systems Analyst I > Texas A&M University > Academy for Advanced Telecommunications and Learning Technologies > Phone: (979)458-2396 > Email: treyd...@tamu.edu > Jabber: treyd...@tamu.edu >
