QuantumATK U-2022.12-SP1 released on Mar 6, 2023 | Webcast Series on Advancing Magnetic Memory Technology with Atomistic Modeling on April 26 and May 24 2023
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export I_MPI_DEBUG=5 /path/to/quantumatk/bin/atkpython your_script.py
export I_MPI_DEBUG=5 /path/to/quantumatk/libexec/mpiexec.hydra -n <#PROCS> /path/to/quantumatk/bin/atkpython your_script.py