Software

Schrodinger 2023.2 does not launch

Schrodinger 2023.2 does not launch through OnDemand or OnDemand desktop, failing with "fatal error"

If you do not need 2023.2 specifically, or you are able to transition to 2024 or later versions, please do so. We highly recommend this option over the following workarounds

Schrodinger can be launched on vis nodes, through X11Forwarding, and through batch jobs. If trying to run Schrodinger 2023.2, please use a vis node, use X11Forwarding, or do not use the GUI and run through a batch job

MVAPICH 3.0 hang due to PMI mismatch with Slurm

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

Performance issues with MVAPICH2 on Cardinal

We have observed that several applications built with MVAPICH2, including Quantum ESPRESSO 7.4.1, HDF5, and OpenFOAM, may experience poor performance on Cardinal. We suspect this issue could be related to the newer network devices or drivers. Since MVAPICH2 is no longer supported, we recommend switching to MVAPICH 3.0 or another MPI implementation to ensure continued performance and stability in your work.

MPI fails with UCX 1.18

After the downtime on August 19, 2025, users may encounter UCX errors such as:

UCX ERROR no active messages transport to <no debug data>: self/memory - Destination is unreachable

when running a multi-node job with intel-oneapi-mpi/2021.10.0, mvapich/3.0 or openmpi/5.0.2.

Pages