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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
3e921a9044dda4629c246cf53e178452291bd65403e27ae63b264b566c653147RUN
/bin/sh
10/21/2020 10:54 PM UTC
cc1488ec54280ff6ad91b30b9970e60aaaecfd696bb0e00ef312f181d4ed491fENTRYPOINT
/usr/bin/nventry
10/21/2020 10:54 PM UTC
ab9e2daf3d629e37ffe9bcdb125b5151e6433075293430f044986b0af325e611COPY
file:c813e4e7cb2ea33631ab8258041006294b37066e906c14a49ffcfdb4eac52c5c in /usr/bin/nventry
10/21/2020 10:54 PM UTC
6e7d24284d6566350933522aa6ac76d292a7a13980a51eab27d86035af7738b5RUN
ldconfig
10/21/2020 10:54 PM UTC
8c81bb1f345c2cd39517832f9a90f70fceb82f45ad349ea8b9224141db4f7b24RUN
mkdir /host_pwd
10/21/2020 10:54 PM UTC
152858740062d65425f80dbcd68eaa14a28706bbeb1c22d54b5dcc9d2ad70115COPY
multi:b88e4b104f3a436c4d3302f8ad3cd39b4110ff1ab9c0960825375ce678d267c5 in /usr/src/
10/21/2020 10:54 PM UTC
8a358e4c0cae2ce992b880b348ab58f07fb2c2f6b7363c7fc1dc9fb719f646b0ENV
UCX_MEMTYPE_CACHE=n
10/21/2020 10:54 PM UTC
6e878cefb3469a06fc4666225cb064d54c068bca995c74303736a9aa079e5fedENV
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
85b77f88ea1fa9d80cb8758aa63bf28541da3f395830fd0f1e246f8e4f9bd7c2RUN
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
07276987dbac4a4b6a42d5d0332fc1f459dc9807903ab74a017ab6866fa0fc53RUN
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