QuantumATK V-2023.12-SP1 version released on Mar 11, 2024
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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