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SISSA
Quantum ESPRESSO
Container
SISSA
Quantum ESPRESSO

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale based on density-functional theory, plane waves, and pseudopotentials.

LayerLabelCreated
025bc38f3d42545828c890d92aa8c91f500011053b7dbc5470180adc601f5dfaRUN
/bin/sh
02/11/2021 7:08 PM UTC
0e514d3c91d9f8423bdb678d4f3b1bba2dad2e48c8b949055baa6d9c7e3a35c6ENTRYPOINT
/usr/bin/nventry
02/11/2021 7:08 PM UTC
b068561082753d555e10bac484bff91b952702146efcc01703801398dceb4837COPY
file:e5cbafbc0bdf1cb51dc0e6c5db47b3bf5e73d55c442bbee3d30da30028b61f3a in /usr/bin/nventry
02/11/2021 7:08 PM UTC
0ebd2f1ca2daba345012bc2b51301b5f9ae2d602349cc6e61e4dfab996a0a81dRUN
ldconfig
02/11/2021 7:08 PM UTC
4659624e5b9023174def4ef186167cf8e452db23139d94c0160dd0873be36c0aRUN
mkdir /host_pwd
02/11/2021 7:08 PM UTC
7f9fa2026fb9574dbbd4025746069cf43fa10df98ef814791e13ac361d70c3c3COPY
multi:df3b12904804ca23c47562f55281dcb28ad612900ec3938ba21b06e85dcbb0f4 in /usr/src/
02/11/2021 7:08 PM UTC
46c686b5ea062145a2a5c75b639c35964cd3a6afd00989624ef9bc5e18ed5bb1ENV
UCX_MEMTYPE_CACHE=n
02/11/2021 7:08 PM UTC
ed7d6f8419bf88d760a231d3d22feed3db0e72906a5a7a6fa5fb114a16bfffb9ENV
OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 OMPI_MCA_rmaps_base_oversubscribe=1 PATH=/usr/local/openmpi/bin:/usr/local/ucx/bin:/usr/local/nvidia/bin:/usr/local/cuda/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
02/11/2021 7:08 PM UTC
ec8f405329301c434531d35657dd3c080536f896a8233a63d3033f28e2f8e5e5RUN
echo "/usr/local/openmpi/lib" >> /etc/ld.so.conf.d/hpccm.conf &&
  echo "/usr/local/ucx/lib" >> /etc/ld.so.conf.d/hpccm.conf &&
  ldconfig
02/11/2021 7:08 PM UTC
1628eadc64492c1dc75ae380f6fe78653659fc5b396b02fe6da903e0b8bce61eRUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libev4 libhwloc5 openssh-client &&
  rm -rf /var/lib/apt/lists/*
02/11/2021 7:08 PM UTC

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