I am experiencing VASP simulation/job issues when running standard VASP std calculations. The jobs will periodically freeze or hang and stop writing output. Ssh’ing onto the HPC node shows the std VASP instances are still running and the RAM haven’t maxed out. This seems to occur randomly, and is not dependent on number of nodes or number of cores. This problem also seems to occur independently of the VASP version, I have run this with both VASP/6.1.1. and /6.4.2. This has happened on a range of materials from metal oxides, metals, and inorganics, and seems to be unaffected by INCAR settings (with and without KPAR).
The systems that we have experienced this on are both Red Hat Linux x86.64 bit platforms, with up to 64 or 128 cores per node. We are using the gcc/12.3.0 compiler with openmpi.
Has anyone seen this issue before, or have any suggestions as to why this is happening? I am happy to provide more information if needed.