lammps/lib/kokkos/generate_makefile.bash

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#!/bin/bash
update_kokkos_devices() {
SEARCH_TEXT="*$1*"
if [[ $KOKKOS_DEVICES == $SEARCH_TEXT ]]; then
echo kokkos devices already includes $SEARCH_TEXT
else
if [ "$KOKKOS_DEVICES" = "" ]; then
KOKKOS_DEVICES="$1"
echo reseting kokkos devices to $KOKKOS_DEVICES
else
KOKKOS_DEVICES="${KOKKOS_DEVICES},$1"
echo appending to kokkos devices $KOKKOS_DEVICES
fi
fi
}
get_kokkos_device_list() {
KOKKOS_DEVICE_CMD=
PARSE_DEVICES_LST=$(echo $KOKKOS_DEVICES | tr "," "\n")
PARSE_DEVICES_LST=$(echo $PARSE_DEVICES_LST | tr "_" "\n")
for DEVICE_ in $PARSE_DEVICES_LST
do
UC_DEVICE=$(echo $DEVICE_ | tr "[:lower:]" "[:upper:]")
KOKKOS_DEVICE_CMD="-DKokkos_ENABLE_${UC_DEVICE}=ON ${KOKKOS_DEVICE_CMD}"
done
}
get_kokkos_arch_list() {
KOKKOS_ARCH_CMD=
PARSE_ARCH_LST=$(echo $KOKKOS_ARCH | tr "," "\n")
for ARCH_ in $PARSE_ARCH_LST
do
UC_ARCH=$(echo $ARCH_ | tr "[:lower:]" "[:upper:]")
KOKKOS_ARCH_CMD="-DKokkos_ARCH_${UC_ARCH}=ON ${KOKKOS_ARCH_CMD}"
done
}
get_kokkos_cuda_option_list() {
echo parsing KOKKOS_CUDA_OPTIONS=$KOKKOS_CUDA_OPTIONS
KOKKOS_CUDA_OPTION_CMD=
PARSE_CUDA_LST=$(echo $KOKKOS_CUDA_OPTIONS | tr "," "\n")
for CUDA_ in $PARSE_CUDA_LST
do
CUDA_OPT_NAME=
if [ "${CUDA_}" == "enable_lambda" ]; then
CUDA_OPT_NAME=CUDA_LAMBDA
elif [ "${CUDA_}" == "rdc" ]; then
CUDA_OPT_NAME=CUDA_RELOCATABLE_DEVICE_CODE
elif [ "${CUDA_}" == "force_uvm" ]; then
CUDA_OPT_NAME=CUDA_UVM
elif [ "${CUDA_}" == "use_ldg" ]; then
CUDA_OPT_NAME=CUDA_LDG_INTRINSIC
else
echo "${CUDA_} is not a valid cuda options..."
fi
if [ "${CUDA_OPT_NAME}" != "" ]; then
KOKKOS_CUDA_OPTION_CMD="-DKokkos_ENABLE_${CUDA_OPT_NAME}=ON ${KOKKOS_CUDA_OPTION_CMD}"
fi
done
}
get_kokkos_option_list() {
echo parsing KOKKOS_OPTIONS=$KOKKOS_OPTIONS
KOKKOS_OPTION_CMD=
PARSE_OPTIONS_LST=$(echo $KOKKOS_OPTIONS | tr "," "\n")
for OPT_ in $PARSE_OPTIONS_LST
do
UC_OPT_=$(echo $OPT_ | tr "[:lower:]" "[:upper:]")
if [[ "$UC_OPT_" == *DISABLE* ]]; then
FLIP_OPT_=${UC_OPT_/DISABLE/ENABLE}
KOKKOS_OPTION_CMD="-DKokkos_${FLIP_OPT_}=OFF ${KOKKOS_OPTION_CMD}"
elif [[ "$UC_OPT_" == *ENABLE* ]]; then
KOKKOS_OPTION_CMD="-DKokkos_${UC_OPT_}=ON ${KOKKOS_OPTION_CMD}"
else
KOKKOS_OPTION_CMD="-DKokkos_ENABLE_${UC_OPT_}=ON ${KOKKOS_OPTION_CMD}"
fi
done
}
display_help_text() {
echo "Kokkos configure options:"
echo ""
echo "--kokkos-path=/Path/To/Kokkos: Path to the Kokkos root directory."
echo "--prefix=/Install/Path: Path to install the Kokkos library."
echo ""
echo "--with-cuda[=/Path/To/Cuda]: Enable Cuda and set path to Cuda Toolkit."
echo "--with-openmp: Enable OpenMP backend."
echo "--with-pthread: Enable Pthreads backend."
echo "--with-serial: Enable Serial backend."
echo "--with-devices: Explicitly add a set of backends."
echo ""
echo "--arch=[OPT]: Set target architectures. Options are:"
echo " [AMD]"
echo " AMDAVX = AMD CPU"
echo " EPYC = AMD EPYC Zen-Core CPU"
echo " [ARM]"
echo " ARMv80 = ARMv8.0 Compatible CPU"
echo " ARMv81 = ARMv8.1 Compatible CPU"
echo " ARMv8-ThunderX = ARMv8 Cavium ThunderX CPU"
echo " ARMv8-TX2 = ARMv8 Cavium ThunderX2 CPU"
echo " [IBM]"
echo " BGQ = IBM Blue Gene Q"
echo " Power7 = IBM POWER7 and POWER7+ CPUs"
echo " Power8 = IBM POWER8 CPUs"
echo " Power9 = IBM POWER9 CPUs"
echo " [Intel]"
echo " WSM = Intel Westmere CPUs"
echo " SNB = Intel Sandy/Ivy Bridge CPUs"
echo " HSW = Intel Haswell CPUs"
echo " BDW = Intel Broadwell Xeon E-class CPUs"
echo " SKX = Intel Sky Lake Xeon E-class HPC CPUs (AVX512)"
echo " [Intel Xeon Phi]"
echo " KNC = Intel Knights Corner Xeon Phi"
echo " KNL = Intel Knights Landing Xeon Phi"
echo " [NVIDIA]"
echo " Kepler30 = NVIDIA Kepler generation CC 3.0"
echo " Kepler32 = NVIDIA Kepler generation CC 3.2"
echo " Kepler35 = NVIDIA Kepler generation CC 3.5"
echo " Kepler37 = NVIDIA Kepler generation CC 3.7"
echo " Maxwell50 = NVIDIA Maxwell generation CC 5.0"
echo " Maxwell52 = NVIDIA Maxwell generation CC 5.2"
echo " Maxwell53 = NVIDIA Maxwell generation CC 5.3"
echo " Pascal60 = NVIDIA Pascal generation CC 6.0"
echo " Pascal61 = NVIDIA Pascal generation CC 6.1"
echo " Volta70 = NVIDIA Volta generation CC 7.0"
echo " Volta72 = NVIDIA Volta generation CC 7.2"
echo ""
echo "--compiler=/Path/To/Compiler Set the compiler."
echo "--debug,-dbg: Enable Debugging."
echo "--disable-tests Disable compilation of unit tests (enabled by default)"
echo "--cxxflags=[FLAGS] Overwrite CXXFLAGS for library build and test"
echo " build. This will still set certain required"
echo " flags via KOKKOS_CXXFLAGS (such as -fopenmp,"
echo " --std=c++11, etc.)."
echo "--cxxstandard=[FLAGS] Overwrite KOKKOS_CXX_STANDARD for library build and test"
echo " c++11 (default), c++14, c++17, c++1y, c++1z, c++2a"
echo "--ldflags=[FLAGS] Overwrite LDFLAGS for library build and test"
echo " build. This will still set certain required"
echo " flags via KOKKOS_LDFLAGS (such as -fopenmp,"
echo " -lpthread, etc.)."
echo "--with-gtest=/Path/To/Gtest: Set path to gtest. (Used in unit and performance"
echo " tests.)"
echo "--with-hwloc=/Path/To/Hwloc: Set path to hwloc library."
echo "--with-memkind=/Path/To/MemKind: Set path to memkind library."
echo "--with-options=[OPT]: Additional options to Kokkos:"
echo " compiler_warnings"
echo " aggressive_vectorization = add ivdep on loops"
echo " disable_profiling = do not compile with profiling hooks"
echo " "
echo "--with-cuda-options=[OPT]: Additional options to CUDA:"
echo " force_uvm, use_ldg, enable_lambda, rdc"
echo "--with-hpx-options=[OPT]: Additional options to HPX:"
echo " enable_async_dispatch"
echo "--gcc-toolchain=/Path/To/GccRoot: Set the gcc toolchain to use with clang (e.g. /usr)"
echo "--make-j=[NUM]: DEPRECATED: call make with appropriate"
echo " -j flag"
}
KOKKOS_DO_TESTS=ON
KOKKOS_DO_EXAMPLES=OFF
while [[ $# > 0 ]]
do
key="$1"
case $key in
--kokkos-path*)
KOKKOS_PATH="${key#*=}"
;;
--hpx-path*)
HPX_PATH="${key#*=}"
;;
--prefix*)
PREFIX="${key#*=}"
;;
--with-cuda)
update_kokkos_devices Cuda
CUDA_PATH_NVCC=$(command -v nvcc)
CUDA_PATH=${CUDA_PATH_NVCC%/bin/nvcc}
;;
# Catch this before '--with-cuda*'
--with-cuda-options*)
KOKKOS_CUDA_OPTIONS="${key#*=}"
;;
--with-cuda*)
update_kokkos_devices Cuda
CUDA_PATH="${key#*=}"
;;
--with-openmp)
update_kokkos_devices OpenMP
;;
--with-pthread)
update_kokkos_devices Pthread
;;
--with-serial)
update_kokkos_devices Serial
;;
--with-hpx-options*)
KOKKOS_HPX_OPT="${key#*=}"
;;
--with-hpx*)
update_kokkos_devices HPX
if [ -z "$HPX_PATH" ]; then
HPX_PATH="${key#*=}"
fi
;;
--with-devices*)
DEVICES="${key#*=}"
PARSE_DEVICES=$(echo $DEVICES | tr "," "\n")
for DEVICE_ in $PARSE_DEVICES
do
update_kokkos_devices $DEVICE_
done
;;
--with-gtest*)
GTEST_PATH="${key#*=}"
;;
--with-hwloc*)
KOKKOS_HWLOC=ON
HWLOC_PATH="${key#*=}"
;;
--with-memkind*)
KOKKOS_MEMKIND=ON
MEMKIND_PATH="${key#*=}"
;;
--arch*)
KOKKOS_ARCH="${key#*=}"
;;
--cxxflags*)
KOKKOS_CXXFLAGS="${key#*=}"
KOKKOS_CXXFLAGS=${KOKKOS_CXXFLAGS//,/ }
;;
--cxxstandard*)
KOKKOS_CXX_STANDARD="${key#*=}"
;;
--ldflags*)
KOKKOS_LDFLAGS="${key#*=}"
;;
--debug|-dbg)
KOKKOS_DEBUG=ON
;;
--make-j*)
echo "Warning: ${key} is deprecated"
echo "Call make with appropriate -j flag"
;;
--disable-tests)
KOKKOS_DO_TESTS=OFF
;;
--no-examples)
KOKKOS_DO_EXAMPLES=OFF
;;
--enable-examples)
KOKKOS_DO_EXAMPLES=ON
;;
--compiler*)
COMPILER="${key#*=}"
CNUM=$(command -v ${COMPILER} 2>&1 >/dev/null | grep "no ${COMPILER}" | wc -l)
if [ ${CNUM} -gt 0 ]; then
echo "Invalid compiler by --compiler command: '${COMPILER}'"
exit
fi
if [[ ! -n ${COMPILER} ]]; then
echo "Empty compiler specified by --compiler command."
exit
fi
CNUM=$(command -v ${COMPILER} | grep ${COMPILER} | wc -l)
if [ ${CNUM} -eq 0 ]; then
echo "Invalid compiler by --compiler command: '${COMPILER}'"
exit
fi
# ... valid compiler, ensure absolute path set
WCOMPATH=$(command -v $COMPILER)
COMPDIR=$(dirname $WCOMPATH)
COMPNAME=$(basename $WCOMPATH)
COMPILER=${COMPDIR}/${COMPNAME}
;;
--with-options*)
KOKKOS_OPTIONS="${key#*=}"
;;
--gcc-toolchain*)
KOKKOS_GCC_TOOLCHAIN="${key#*=}"
;;
--help)
display_help_text
exit 0
;;
*)
echo "warning: ignoring unknown option $key"
;;
esac
shift
done
if [ "$COMPILER" == "" ]; then
COMPILER_CMD=
else
COMPILER_CMD=-DCMAKE_CXX_COMPILER=$COMPILER
fi
if [ "$KOKKOS_DEBUG" == "ON" ]; then
KOKKOS_DEBUG_CMD=-DCMAKE_BUILD_TYPE=DEBUG
else
KOKKOS_DEBUG_CMD=-DCMAKE_BUILD_TYPE=RELEASE
fi
if [ "$KOKKOS_HWLOC" == "ON" ]; then
KOKKOS_HWLOC_CMD=-DKokkos_ENABLE_HWLOC=ON
if [ "$HWLOC_PATH" != "" ]; then
KOKKOS_HWLOC_PATH_CMD=-DHWLOC_ROOT=$HWLOC_PATH
fi
else
KOKKOS_HWLOC_CMD=
fi
if [ "$KOKKOS_MEMKIND" == "ON" ]; then
KOKKOS_MEMKIND_CMD=-DKokkos_ENABLE_MEMKIND=ON
if [ "$MEMKIND_PATH" != "" ]; then
KOKKOS_MEMKIND_PATH_CMD=-DMEMKIND_ROOT=$MEMKIND_PATH
fi
else
KOKKOS_MEMKIND_CMD=
fi
if [ ! -e ${KOKKOS_PATH}/CMakeLists.txt ]; then
if [ "${KOKKOS_PATH}" == "" ]; then
CM_SCRIPT=$0
KOKKOS_PATH=`dirname $CM_SCRIPT`
if [ ! -e ${KOKKOS_PATH}/CMakeLists.txt ]; then
echo "${KOKKOS_PATH} repository appears to not be complete. please verify and try again"
exit 0
fi
else
echo "KOKKOS_PATH does not appear to be set properly. please specify in location of CMakeLists.txt"
display_help_text
exit 0
fi
fi
get_kokkos_device_list
get_kokkos_option_list
get_kokkos_arch_list
get_kokkos_cuda_option_list
## if HPX is enabled, we need to enforce cxx standard = 14
if [[ ${KOKKOS_DEVICE_CMD} == *Kokkos_ENABLE_HPX* ]]; then
if [ "${KOKKOS_CXX_STANDARD}" == "" ] || [ ${#KOKKOS_CXX_STANDARD} -lt 14 ]; then
echo CXX Standard must be 14 or higher for HPX to work.
KOKKOS_CXX_STANDARD=14
fi
fi
if [ "$KOKKOS_CXX_STANDARD" == "" ]; then
STANDARD_CMD=
else
STANDARD_CMD=-DKokkos_CXX_STANDARD=${KOKKOS_CXX_STANDARD}
fi
if [[ ${COMPILER} == *clang* ]]; then
gcc_path=$(which g++ | awk --field-separator='/bin/g++' '{printf $1}' )
KOKKOS_CXXFLAGS="${KOKKOS_CXXFLAGS} --gcc-toolchain=${gcc_path}"
if [ ! "${CUDA_PATH}" == "" ]; then
KOKKOS_CXXFLAGS="${KOKKOS_CXXFLAGS} --cuda-path=${CUDA_PATH}"
fi
fi
echo cmake $COMPILER_CMD -DCMAKE_CXX_FLAGS="${KOKKOS_CXXFLAGS}" -DCMAKE_EXE_LINKER_FLAGS="${KOKKOS_LDFLAGS}" -DCMAKE_INSTALL_PREFIX=${PREFIX} ${KOKKOS_DEVICE_CMD} ${KOKKOS_ARCH_CMD} -DKokkos_ENABLE_TESTS=${KOKKOS_DO_TESTS} -DKokkos_ENABLE_EXAMPLES=${KOKKOS_DO_EXAMPLES} ${KOKKOS_OPTION_CMD} ${KOKKOS_CUDA_OPTION_CMD} -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_CXX_EXTENSIONS=OFF ${STANDARD_CMD} ${KOKKOS_DEBUG_CMD} ${KOKKOS_HWLOC_CMD} ${KOKKOS_HWLOC_PATH_CMD} ${KOKKOS_MEMKIND_CMD} ${KOKKOS_MEMKIND_PATH_CMD} ${KOKKOS_PATH}
cmake $COMPILER_CMD -DCMAKE_CXX_FLAGS="${KOKKOS_CXXFLAGS//\"}" -DCMAKE_EXE_LINKER_FLAGS="${KOKKOS_LDFLAGS//\"}" -DCMAKE_INSTALL_PREFIX=${PREFIX} ${KOKKOS_DEVICE_CMD} ${KOKKOS_ARCH_CMD} -DKokkos_ENABLE_TESTS=${KOKKOS_DO_TESTS} -DKokkos_ENABLE_EXAMPLES=${KOKKOS_DO_EXAMPLES} ${KOKKOS_OPTION_CMD} ${KOKKOS_CUDA_OPTION_CMD} -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_CXX_EXTENSIONS=OFF ${STANDARD_CMD} ${KOKKOS_DEBUG_CMD} ${KOKKOS_HWLOC_CMD} ${KOKKOS_HWLOC_PATH_CMD} ${KOKKOS_MEMKIND_CMD} ${KOKKOS_MEMKIND_PATH_CMD} ${KOKKOS_PATH}