Oakridge National Lab
QMCPACK
Container
Oakridge National Lab
QMCPACK

QMCPACK is an open-source, high-performance electronic structure code that implements numerous Quantum Monte Carlo algorithms. Its main applications are electronic structure calculations of molecular, periodic 2D and periodic 3D solid-state systems.

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ldconfig
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file:b85465bc45c35b167d7e994d29a13ff37b388077bac81b9fcd90c971ca917f7e in /etc/ld.so.conf.d/nvidia.conf
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sha256:a554edc7f1b9f611eaae6cdd6f575afecb9421229ee5e9ed56ff503e12d560dbRUN
mkdir -p /host_pwd
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file:89c29b32ddcb90532f3a0718eb0eebed835d195a94788bf31e9464f85e184a5f in /usr/local/cuda/lib64/
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dir:59ffc43b6a607bedb32ffa720422ca6c67c5e0fff33275c513ccb666ba89f59e in /usr/local/openmpi/lib
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