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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
    sha256:892aaefd5d5663702559fc5be69f101b65e00c95e266d0147c70ced1b7d5aab2COPY
    dir:b6f472afdf147ebae7d1d1c8dca53f45f4379164c428ce80d2301a458b7d2f8c in /opt/nvidia/hpc_sdk/Linux_aarch64/24.7/compilers/lib
    		10/22/2024 12:40 PM UTC
    sha256:6939ef863b32a1b8e4ee9e85c79e72de185de367fd177c2d77f95f8f05335a84RUN
    mkdir -p /opt/q-e/bin/ &&
  ln -sf /usr/local/qe/bin/pw.x /opt/q-e/bin/pw.x
    		10/22/2024 12:40 PM UTC
    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
    		10/22/2024 12:40 PM UTC
    sha256:bd29bb1faf2a8ff03ff767748bbb4a72a30e91985490ddc3747bed16d5c67517RUN
    apt-get update -y &&
  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends libgfortran5 libgomp1 &&
  rm -rf /var/lib/apt/lists/*
    		10/22/2024 12:40 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/usr/bin/nventry" "-try_lazy_loading"]
    		10/22/2024 12:39 PM UTC
    sha256:62ae0b8df0bf94c39da6151e56608147db8f3854be366ed5e5c4247560b3bcd9COPY
    file:bca4cbd12ffb000bce39e8bd18294840051e279cd07f8087eb613a4076640e20 in /usr/bin/nventry
    		10/22/2024 12:39 PM UTC
    sha256:2c40a0710aa7f69d49cc9dc2aa97a80f2f7ef0d27ce168398ad2775291859200RUN
    ldconfig
    		10/22/2024 12:39 PM UTC
    sha256:434e5aeb37632dfbb76b8d00db9b3dac19795f36362101d0716cdb57c365dd53RUN
    mkdir /host_pwd
    		10/22/2024 12:39 PM UTC
    sha256:96684d0e9a95a5cee5289ea09d152dcf01637021e33a7626a5e26777edc9674eCOPY
    multi:8cebccbec383a83e0baac37432aefc03fd81ffe363fff882a05e2ce48bc7417c in /usr/src/
    		10/22/2024 12:39 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    UCX_MEMTYPE_CACHE=n
    		10/22/2024 12:39 PM UTC