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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
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
OMPI_MCA_coll=^hcoll PATH=/usr/local/qe/bin:/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 UCX_MAX_RNDV_RAILS=1
02/11/2021 7:08 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
/usr/bin/nventry
02/11/2021 7:08 PM UTC
sha256:61ea4b743ce8c5960c03e5fcdd560109ed7dfdbb4a01917627725a48b51baaefCOPY
file:e5cbafbc0bdf1cb51dc0e6c5db47b3bf5e73d55c442bbee3d30da30028b61f3a in /usr/bin/nventry
02/11/2021 7:08 PM UTC
sha256:f0725686ea561a18b66c1e3e76f06599e467001e4fc1bc7f3924999be3282c5eRUN
ldconfig
02/11/2021 7:08 PM UTC
sha256:31fa4c72af6f62fc70d253dc156710a40322f229db6dcd98df40b6491271de93RUN
mkdir /host_pwd
02/11/2021 7:08 PM UTC
sha256:a0f68ec2582ee7503b07ddeebbb550f01272f140d2450047dfa7caa111556e42COPY
multi:df3b12904804ca23c47562f55281dcb28ad612900ec3938ba21b06e85dcbb0f4 in /usr/src/
02/11/2021 7:08 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
UCX_MEMTYPE_CACHE=n
02/11/2021 7:08 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
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
sha256:d1c1cde7d2b7524cec17c294e057768a2864df5b565e6dcdb58a884d29783c74RUN
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
sha256:e1ba6c62a4a080413a5eb1add287a25553a724cf65e16216812ac881d5c98bfdRUN
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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