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MVAPICH 3.0 hang due to PMI mismatch with Slurm

Category: 
Software
Resolution: 
Resolved
Workaround Link: 
Workaround Link
Affected Software: 
LAMMPS
MVAPICH
NWChem
Quantum ESPRESSO

Applications such as Quantum ESPRESSO, LAMMPS, and NWChem experienced hangs with MVAPICH 3.0 due to a PMI mismatch. MVAPICH 3.0 was built with PMI-1, while newer Slurm versions on RHEL 9 use PMI-2. Although the development team states that using the PMI-1 interface with Slurm’s PMI-2 implementation should work, there may be a bug in MVAPICH 3.0.

Update 2026-05-12

The default MPI module is now set to MVAPICH 4.1. Please refer to

 https://www.osc.edu/resources/technical_support/hpc_changelog/2026/defau...

for more detail.

Update 2025-12-17

We have upgraded the MVAPICH software stack from version 3.0 to MVAPICH 4.1. We highly recommend switching to MVAPICH 4.1 and the associated toolchains to avoid potential PMI mismatch issues.