On Wed, Jan 28, 2015 at 01:10:39PM -0800, Trey Dockendorf 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).
We are using slurm with Vasp compiled with openmpi. We have no problem. How is configured you stacksize (by default stacksize is too low for Vasp causing segfault) ? We are using /etc/security/limits.conf and the slurm pam module to have stack and memlock (for infiniband) unlimited Fabrice Boyrie --- Institut Charles Gerhardt (UMR 5253) Université Montpellier II Bât. 15 - CC1501 Place Eugène Bataillon 34 095 Montpellier Cédex 5 - FRANCE
