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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 $DEVICE_ | tr "[:lower:]" "[:upper:]")
if [ "${UC_DEVICE}" == "CUDA" ]; then
WITH_CUDA_BACKEND=ON
fi
if [ "${UC_DEVICE}" == "HIP" ]; then
WITH_HIP_BACKEND=ON
fi
if [ "${UC_DEVICE}" == "OPENMPTARGET" ]; then
WITH_OMPT_BACKEND=ON
fi
KOKKOS_DEVICE_CMD="-DKokkos_ENABLE_${UC_DEVICE}=ON ${KOKKOS_DEVICE_CMD}"
done
if [ "${WITH_CUDA_BACKEND}" == "ON" ] && [ "${WITH_HIP_BACKEND}" == "ON" ]; then
echo "Invalid configuration - Cuda and Hip cannot be simultaneously enabled"
exit
fi
if [ "${WITH_CUDA_BACKEND}" == "ON" ] && [ "${WITH_OMPT_BACKEND}" == "ON" ]; then
echo "Invalid configuration - Cuda and OpenMPTarget cannot be simultaneously enabled"
exit
fi
if [ "${WITH_OMPT_BACKEND}" == "ON" ] && [ "${WITH_HIP_BACKEND}" == "ON" ]; then
echo "Invalid configuration - OpenMPTarget and Hip cannot be simultaneously enabled"
exit
fi
}
get_kokkos_arch_list() {
KOKKOS_ARCH_CMD=
PARSE_ARCH_LST=$(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
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 ${KOKKOS_CUDA_OPTION_CMD}"
fi
done
}
get_kokkos_hip_option_list() {
echo parsing KOKKOS_HIP_OPTIONS=$KOKKOS_HIP_OPTIONS
KOKKOS_HIP_OPTION_CMD=
PARSE_HIP_LST=$(echo $KOKKOS_HIP_OPTIONS | tr "," "\n")
for HIP_ in $PARSE_HIP_LST
do
HIP_OPT_NAME=
if [ "${HIP_}" == "rdc" ]; then
HIP_OPT_NAME=HIP_RELOCATABLE_DEVICE_CODE
else
echo "${HIP_} is not a valid hip option..."
fi
if [ "${HIP_OPT_NAME}" != "" ]; then
KOKKOS_HIP_OPTION_CMD="-DKokkos_ENABLE_${HIP_OPT_NAME}=ON ${KOKKOS_HIP_OPTION_CMD}"
fi
done
}
get_kokkos_ompt_option_list() {
echo parsing KOKKOS_OMPT_OPTIONS=$KOKKOS_OMPT_OPTIONS
KOKKOS_OMPT_OPTION_CMD=
PARSE_OMPT_LST=$(echo $KOKKOS_OMPT_OPTIONS | tr "," "\n")
# Stub for eventual OpenMPTarget options
# for OMPT_ in $PARSE_OMPT_LST
# do
# OMPT_OPT_NAME=
# if [ "${OMPT_}" == "?" ]; then
# OMPT_OPT_NAME=OMPT_?
# else
# echo "${OMPT_} is not a valid openmptarget option..."
# fi
# if [ "${OMPT_OPT_NAME}" != "" ]; then
# KOKKOS_OMPT_OPTION_CMD="-DKokkos_ENABLE_${OMPT_OPT_NAME}=ON ${KOKKOS_OMPT_OPTION_CMD}"
# fi
# done
}
get_kokkos_option_list() {
echo parsing KOKKOS_OPTIONS=$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-hip[=/Path/To/Hip]: Enable Hip and set path to ROCM Toolkit."
echo "--with-openmptarget: Enable OpenMPTarget backend."
echo "--with-sycl: Enable Sycl backend."
echo "--with-openmp: Enable OpenMP backend."
echo "--with-threads: Enable Threads 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: CPU]"
echo " AMDAVX = AMD CPU"
echo " ZEN = AMD Zen-Core CPU"
echo " ZEN2 = AMD Zen2-Core CPU"
echo " ZEN3 = AMD Zen3-Core CPU"
echo " [AMD: GPU]"
echo " AMD_GFX906 = AMD GPU MI50/MI60 GFX906"
echo " AMD_GFX908 = AMD GPU MI100 GFX908"
echo " AMD_GFX90A = AMD GPU MI200 GFX90A"
echo " AMD_GFX940 = AMD GPU MI300 GFX940"
echo " AMD_GFX942 = AMD GPU MI300 GFX942"
echo " AMD_GFX1030 = AMD GPU V620/W6800 GFX1030"
echo " AMD_GFX1100 = AMD GPU RX 7900 XT(X) GFX1100"
echo " AMD_GFX1103 = AMD APU Radeon 740M/760M/780M/880M/890M GFX1103"
echo " [ARM]"
echo " ARMV80 = ARMv8.0 Compatible CPU"
echo " ARMV81 = ARMv8.1 Compatible CPU"
echo " ARMV8_THUNDERX = ARMv8 Cavium ThunderX CPU"
echo " ARMV8_THUNDERX2 = ARMv8 Cavium ThunderX2 CPU"
echo " [IBM]"
echo " Power8 = IBM POWER8 CPUs"
echo " Power9 = IBM POWER9 CPUs"
echo " [Intel]"
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 " ICX = Intel Ice Lake CPUs (AVX512)"
echo " [Intel Xeon Phi]"
echo " KNC = Intel Knights Corner Xeon Phi"
echo " KNL = Intel Knights Landing Xeon Phi"
echo " [Intel: GPU]"
echo " INTEL_GEN = SPIR64-based devices, e.g. Intel GPUs, using JIT"
echo " INTEL_DG1 = Intel Iris XeMAX GPU"
echo " INTEL_GEN9 = Intel GPU Gen9"
echo " INTEL_GEN11 = Intel GPU Gen11"
echo " INTEL_GEN12LP = Intel GPU Gen12LP"
echo " INTEL_XEHP = Intel GPU Xe-HP"
echo " INTEL_PVC = Intel GPU Ponte Vecchio"
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 " Ampere80 = NVIDIA Ampere generation CC 8.0"
echo " Ampere86 = NVIDIA Ampere generation CC 8.6"
echo ""
echo "--compiler=/Path/To/Compiler Set the compiler."
echo "--debug,-dbg: Enable Debugging."
echo "--boundscheck: Enable Kokkos_ENABLE_DEBUG_BOUNDS_CHECK to check View accesses within bounds."
echo "--disable-tests Disable compilation of unit tests (enabled by default)"
echo "--deprecated-code Enable deprecated code (disabled by default)"
echo "--deprecated-code-warnings Enable deprecated code warnings (disabled 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++17, etc.)."
echo "--cxxstandard=[FLAGS] Set CMAKE_CXX_STANDARD for library build and test"
echo " 17 (default), 1z, 20, 2a, 23, 2b"
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-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-hip-options=[OPT]: Additional options to HIP:"
echo " 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 "--cmake-flags=[CMAKE Command options]: Set cmake options not handled by script"
echo "--make-j=[NUM]: DEPRECATED: call make with appropriate"
echo " -j flag"
}
KOKKOS_DO_TESTS=ON
KOKKOS_DO_EXAMPLES=OFF
# For tracking if Cuda and Hip devices are enabled simultaneously
WITH_CUDA_BACKEND=OFF
WITH_HIP_BACKEND=OFF
WITH_OMPT_BACKEND=OFF
KOKKOS_DEPRECATED_CODE=OFF
KOKKOS_DEPRECATED_CODE_WARNINGS=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-hip)
update_kokkos_devices Hip
HIP_PATH_HIPCC=$(command -v hipcc)
HIP_PATH=${HIP_PATH_HIPCC%/bin/hipcc}
;;
# Catch this before '--with-hip*'
--with-hip-options*)
KOKKOS_HIP_OPTIONS="${key#*=}"
;;
--with-hip*)
update_kokkos_devices Hip
HIP_PATH="${key#*=}"
;;
--with-openmptarget)
update_kokkos_devices OpenMPTarget
;;
--with-openmptarget-options*)
KOKKOS_OMPT_OPTIONS="${key#*=}"
;;
--with-openmp)
update_kokkos_devices OpenMP
;;
--with-sycl)
update_kokkos_devices Sycl
;;
--with-threads)
update_kokkos_devices Threads
;;
--with-pthread)
update_kokkos_devices Pthread
echo "warning: The --with-pthread option is deprecated. Use --with-threads instead!"
;;
--with-serial)
update_kokkos_devices Serial
;;
--with-hpx-options*)
KOKKOS_HPX_OPT="${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="${key#*=}"
;;
--arch*)
KOKKOS_ARCH="${key#*=}"
;;
--cxxflags*)
KOKKOS_CXXFLAGS="${key#*=}"
KOKKOS_CXXFLAGS=${KOKKOS_CXXFLAGS//,/ }
;;
--cxxstandard*)
KOKKOS_CXX_STANDARD="${key#*=}"
;;
--ldflags*)
KOKKOS_LDFLAGS="${key#*=}"
;;
--debug|-dbg)
KOKKOS_DEBUG=ON
;;
--boundscheck)
KOKKOS_BOUNDS_CHECK=ON
;;
--cmake-flags*)
PASSTHRU_CMAKE_FLAGS="${key#*=}"
;;
--make-j*)
echo "Warning: ${key} is deprecated"
echo "Call make with appropriate -j flag"
;;
--disable-tests)
KOKKOS_DO_TESTS=OFF
;;
--deprecated-code)
KOKKOS_DEPRECATED_CODE=ON
;;
--deprecated-code-warnings)
KOKKOS_DEPRECATED_CODE_WARNINGS=ON
;;
--no-examples)
KOKKOS_DO_EXAMPLES=OFF
;;
--enable-examples)
KOKKOS_DO_EXAMPLES=ON
;;
--compiler*)
COMPILER="${key#*=}"
CNUM=$(command -v ${COMPILER} 2>&1 >/dev/null | grep -c "no ${COMPILER}")
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 -c ${COMPILER})
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 -DKokkos_ENABLE_DEBUG=ON"
else
KOKKOS_DEBUG_CMD=-DCMAKE_BUILD_TYPE=RELEASE
fi
if [ "$KOKKOS_BOUNDS_CHECK" == "ON" ]; then
KOKKOS_BC_CMD=-DKokkos_ENABLE_DEBUG_BOUNDS_CHECK=ON
fi
if [ "$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 [ ! -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
get_kokkos_hip_option_list
get_kokkos_ompt_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=-DCMAKE_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} ${KOKKOS_HIP_OPTION_CMD} -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_CXX_EXTENSIONS=OFF ${STANDARD_CMD} ${KOKKOS_DEBUG_CMD} ${KOKKOS_BC_CMD} ${KOKKOS_HWLOC_CMD} ${KOKKOS_HWLOC_PATH_CMD} -DKokkos_ENABLE_DEPRECATION_WARNINGS=${KOKKOS_DEPRECATED_CODE_WARNINGS} -DKokkos_ENABLE_DEPRECATED_CODE_4=${KOKKOS_DEPRECATED_CODE} ${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} ${KOKKOS_HIP_OPTION_CMD} -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_CXX_EXTENSIONS=OFF ${STANDARD_CMD} ${KOKKOS_DEBUG_CMD} ${KOKKOS_BC_CMD} ${KOKKOS_HWLOC_CMD} ${KOKKOS_HWLOC_PATH_CMD} ${PASSTHRU_CMAKE_FLAGS} -DKokkos_ENABLE_DEPRECATION_WARNINGS=${KOKKOS_DEPRECATED_CODE_WARNINGS} -DKokkos_ENABLE_DEPRECATED_CODE_4=${KOKKOS_DEPRECATED_CODE} ${KOKKOS_PATH}
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