mirror of https://github.com/QMCPACK/qmcpack.git
Rename PGI to NVHPC
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@ -11,7 +11,7 @@ if(QMC_OMP)
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message(FATAL_ERROR "NVIDIA HPC compiler requires -gpu=ccXX option set based on the target GPU architecture! "
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"Please add -DOFFLOAD_ARCH=ccXX to cmake. For example, cc70 is for Volta.")
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endif()
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set(CMAKE_CXX_FLAGS "-mp=gpu")
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set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -mp=gpu")
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set(OPENMP_OFFLOAD_COMPILE_OPTIONS "-gpu=${OFFLOAD_ARCH}")
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else()
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set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -mp=allcores")
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@ -24,7 +24,7 @@ elseif(CMAKE_CXX_COMPILER_ID MATCHES "XL")
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elseif(CMAKE_CXX_COMPILER_ID MATCHES "Intel" OR INTEL_ONEAPI_COMPILER_FOUND)
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set(COMPILER Intel)
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elseif(CMAKE_CXX_COMPILER_ID MATCHES "PGI" OR CMAKE_CXX_COMPILER_ID MATCHES "NVHPC")
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set(COMPILER PGI)
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set(COMPILER NVHPC)
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elseif(CMAKE_CXX_COMPILER_ID MATCHES "Cray")
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set(COMPILER Cray)
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elseif(CMAKE_CXX_COMPILER_ID MATCHES "Clang")
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@ -46,8 +46,8 @@ elseif(COMPILER MATCHES "GNU")
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include(${PROJECT_CMAKE}/GNUCompilers.cmake)
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elseif(COMPILER MATCHES "Clang")
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include(${PROJECT_CMAKE}/ClangCompilers.cmake)
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elseif(COMPILER MATCHES "PGI")
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include(${PROJECT_CMAKE}/PGICompilers.cmake)
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elseif(COMPILER MATCHES "NVHPC")
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include(${PROJECT_CMAKE}/NVHPCCompilers.cmake)
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else()
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message(WARNING "No default file for compiler (${COMPILER})")
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endif()
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@ -33,7 +33,7 @@ particular emphasis is placed on code quality and reproducibility.
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* Python3. Older versions are not supported as of January 2020.
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We aim to support open source compilers and libraries released within two years of each QMCPACK release. Use of software versions
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over two years old may work but is discouraged and untested. Proprietary compilers (Intel, PGI) are generally supported over the
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over two years old may work but is discouraged and untested. Proprietary compilers (Intel, NVHPC) are generally supported over the
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same period but may require use of an exact version. We also aim to support the standard software environments on machines such as
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Summit at OLCF, Theta at ALCF, and Cori at NERSC. Use of the most recently released compilers and library versions is particularly
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encouraged for highest performance and easiest configuration.
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@ -1393,7 +1393,7 @@ Installing QMCPACK with Spack on Linux
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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Spack works robustly on the standard flavors of Linux (Ubuntu, CentOS,
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Ubuntu, etc.) using GCC, Clang, PGI, and Intel compilers.
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Ubuntu, etc.) using GCC, Clang, NVHPC, and Intel compilers.
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Installing QMCPACK with Spack on Mac OS X
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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@ -1449,7 +1449,7 @@ is non-intuitive for Spack newcomers:
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your-laptop> spack install quantum-espresso+qmcpack~patch~mpi~scalapack@6.7%gcc hdf5=serial
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QE Spack package is well tested with GCC and Intel compilers, but will not work
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with the PGI compiler or in a cross-compile environment.
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with the NVHPC compiler or in a cross-compile environment.
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Reporting Bugs
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~~~~~~~~~~~~~~
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