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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
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
10/21/2020 10:54 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
/usr/bin/nventry
10/21/2020 10:54 PM UTC
sha256:38290fe0b565be8238afe5190d5ffbaaa29cea73e2410e408e9aaa892950756bCOPY
file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
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sha256:a1ec8caf45005c53b8f5e626820a494e08c69da9273e43d9a40587d47715c33aRUN
ldconfig
10/21/2020 10:54 PM UTC
sha256:8e5adfa3e79ddfc15897fc4ac9ccdaadc194210e2a0f6743cf466ccf58f6c006RUN
mkdir /host_pwd
10/21/2020 10:54 PM UTC
sha256:54b1734f6f012314b7abf9ff4fba11b8b831577115857ddc5a6e47271bf74930COPY
multi:b88e4b104f3a436c4d3302f8ad3cd39b4110ff1ab9c0960825375ce678d267c5 in /usr/src/
10/21/2020 10:54 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
UCX_MEMTYPE_CACHE=n
10/21/2020 10:54 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
10/21/2020 10:54 PM UTC
sha256:e22425d5c237fb0ec23b2f020229a94b88b62cab90392f3357f97040ebb18c61RUN
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
10/21/2020 10:54 PM UTC
sha256:1ad79baa6c9a0fa067df01bb1c2f9633d5cc4d7bae0d41ebc8334aad883e7372RUN
apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libev4 libhwloc5 openssh-client &&
  rm -rf /var/lib/apt/lists/*
10/21/2020 10:54 PM UTC

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