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: [email protected] Jabber: [email protected]
