зеркало из https://github.com/Azure/azurehpc.git
Merge pull request #163 from Azure/namd_fix
Corrected namd installation errors.
This commit is contained in:
Коммит
908ebf5697
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@ -12,19 +12,19 @@ APP_NAME=NAMD
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APP_VERSION=2.13
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APP_VERSION=2.13
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SHARED_APP=/apps
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SHARED_APP=/apps
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NAMD_ARCH=Linux-x86_64-g++
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NAMD_ARCH=Linux-x86_64-g++
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SKU_TYPE=${SKU_TYPE:-hbv2}
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MODULE_DIR=${SHARED_APP}/modulefiles/${SKU_TYPE}/${APP_NAME}
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MODULE_DIR=${SHARED_APP}/modulefiles/${SKU_TYPE}/${APP_NAME}
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APP_TYPE=openmpi-gcc7.4
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APP_TYPE=openmpi-gcc7.4
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MODULE_NAME=${APP_VERSION}-${APP_TYPE}
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MODULE_NAME=${APP_VERSION}-${APP_TYPE}
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APP_DIR=$SHARED_APP/${SKU_TYPE}/${APP_NAME}-${APP_TYPE}
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APP_DIR=$SHARED_APP/${SKU_TYPE}/${APP_NAME}-${APP_TYPE}
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NAMD_SOURCE_NAME=${APP_NAME}_${APP_VERSION}_Source
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NAMD_SOURCE_NAME=${APP_NAME}_${APP_VERSION}_Source
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SKU_TYPE=${SKU_TYPE:-hbv2}
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NAMD_SOURCE_TAR_GZ_LOC=${NAMD_SOURCE_TAR_GZ_LOC:-~hpcuser}
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NAMD_SOURCE_TAR_GZ_LOC=${NAMD_SOURCE_TAR_GZ_LOC:-~hpcuser}
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if [ -n "$NAMD_SMP" ]; then
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if [ -n "$NAMD_SMP" ]; then
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CHARM_ARCH=mpi-linux-x86_64-gfortran-gcc
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else
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CHARM_ARCH=mpi-linux-x86_64-gfortran-smp-gcc
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CHARM_ARCH=mpi-linux-x86_64-gfortran-smp-gcc
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else
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CHARM_ARCH=mpi-linux-x86_64-gfortran-gcc
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fi
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fi
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function create_modulefile {
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function create_modulefile {
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