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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
    sha256:880d017dee6af09a30f07433183580a800931f1cda068fdaddec4e53a9bbdaccRUN
    rm -f /usr/local/cuda/lib64/libcusolverMg*
    		10/13/2021 8:29 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    CUFFT_ALLOWED_L2_CACHE=0 HCOLL_ENABLE_MCAST_ALL=0 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 UCX_MEMTYPE_CACHE=n UCX_RNDV_THRESH=8192
    		10/13/2021 8:29 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    /usr/bin/nventry
    		10/13/2021 8:29 AM UTC
    sha256:1efc38e81040f2d10ca25452df4de783eeabec05106a76ef0a4659d45fc7d313COPY
    file:b24c557a750ad68d818204b07988269fc237aa0a39c25edfe26d1bfb3bcc649b in /usr/bin/nventry
    		10/13/2021 8:29 AM UTC
    sha256:a830e6903d998051688783f8a2bba3a281fc5d676e25963d13a5d9b81425d833RUN
    ldconfig
    		10/13/2021 8:29 AM UTC
    sha256:964d220a9a557d43641dcb5cdc9cb556adb1683299530c8d1862839478e56e17RUN
    mkdir /host_pwd
    		10/13/2021 8:29 AM UTC
    sha256:7de5d707e156d903a0fd131aefa2cea38a05682dbf1491c52984b3d420abdf31COPY
    multi:6661c95713e33a3f628ab1509d06ff25ba109dd27c877cbba9578b7adf06a04f in /usr/src/
    		10/13/2021 8:29 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    UCX_MEMTYPE_CACHE=n
    		10/13/2021 8:29 AM 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
    		10/13/2021 8:29 AM UTC
    sha256:fd564917156f26ef761bc19c7dabafc4d34a96f3f220bc8491037f162e390f2fRUN
    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
    		10/13/2021 8:29 AM UTC