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lammps/lib/kokkos/bin/kokkos-bind
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kokkos-bind
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#!/usr/bin/env bash
# check if hwloc commands exist
declare -i HAS_HWLOC=0
type hwloc-bind >/dev/null 2>&1
HAS_HWLOC="${HAS_HWLOC} + $?"
type hwloc-distrib >/dev/null 2>&1
HAS_HWLOC="${HAS_HWLOC} + $?"
type hwloc-ls >/dev/null 2>&1
HAS_HWLOC="${HAS_HWLOC} + $?"
type hwloc-calc >/dev/null 2>&1
HAS_HWLOC="${HAS_HWLOC} + $?"
type hwloc-ps >/dev/null 2>&1
HAS_HWLOC="${HAS_HWLOC} + $?"
#parse args
declare -a UNKNOWN_ARGS=()
declare -i DISTRIBUTE=1
declare -i INDEX=0
PROC_BIND="all"
CURRENT_CPUSET=""
OPENMP_VERSION=4.0
OPENMP_PROC_BIND=True
OPENMP_NESTED=True
VERBOSE=False
#get the current process cpuset
if [[ ${HAS_HWLOC} -eq 0 ]]; then
MY_PID="$BASHPID"
CURRENT_CPUSET=$(hwloc-ps --cpuset | grep "${MY_PID}" | cut -f 2)
echo "$CURRENT_CPUSET"
fi
function show_help {
local cmd=$(basename "$0")
echo "Usage: ${cmd} <options> -- command ..."
echo " Uses hwloc to divide the node into the given number of groups,"
echo " set the appropriate OMP_NUM_THREADS and execute the command on the"
echo " selected group."
echo ""
echo " NOTE: This command assumes it has exclusive use of the node"
echo ""
echo "Options:"
echo " --proc-bind=<LOC> Set the initial process mask for the script. "
echo " LOC can be any valid location argumnet for"
echo " hwloc-calc. Defaults to the entire machine"
echo " --distribute=N Distribute the current proc-bind into N groups"
echo " --index=I Use the i'th group (zero based)"
echo " --openmp=M.m Set env variables for the given OpenMP version"
echo " (default 4.0)"
echo " --no-openmp-proc-bind Set OMP_PROC_BIND to false and unset OMP_PLACES"
echo " --no-openmp-nested Set OMP_NESTED to false"
echo " -v|--verbose"
echo " -h|--help"
echo ""
echo "Sample Usage:"
echo " ${cmd} --distribute=4 --index=2 -v -- command ..."
echo ""
}
if [[ "$#" -eq 0 ]]; then
show_help
exit 0
fi
for i in $@; do
case $i in
# number of partitions to create
--proc-bind=*)
PROC_BIND="${i#*=}"
shift
;;
--distribute=*)
DISTRIBUTE="${i#*=}"
shift
;;
# which group to use
--index=*)
INDEX="${i#*=}"
shift
;;
--openmp=*)
OPENMP_VERSION="${i#*=}"
shift
;;
--no-openmp-proc-bind)
OPENMP_PROC_BIND=False
shift
;;
--no-openmp-nested)
OPENMP_NESTED=False
shift
;;
-v|--verbose)
VERBOSE=True
shift
;;
-h|--help)
show_help
exit 0
;;
# ignore remaining arguments
--)
shift
break
;;
# unknown option
*)
UNKNOWN_ARGS+=("$i")
shift
;;
esac
done
if [[ ${#UNKNOWN_ARGS[*]} > 0 ]]; then
echo "Uknown options: ${UNKNOWN_ARGS[*]}"
exit 1
fi
if [[ ${DISTRIBUTE} -le 0 ]]; then
echo "Invalid input for distribute, changing distribute to 1"
DISTRIBUTE=1
fi
if [[ ${INDEX} -ge ${DISTRIBUTE} ]]; then
echo "Invalid input for index, changing index to 0"
INDEX=0
fi
if [[ ${HAS_HWLOC} -ne 0 ]]; then
echo "hwloc not found, no process binding will occur"
DISTRIBUTE=1
INDEX=0
fi
if [[ ${HAS_HWLOC} -eq 0 ]]; then
if [[ "${CURRENT_CPUSET}" == "" ]]; then
BINDING=$(hwloc-calc ${PROC_BIND})
else
BINDING=$(hwloc-calc --restrict ${CURRENT_CPUSET} ${PROC_BIND})
fi
CPUSETS=($(hwloc-distrib --restrict ${BINDING} --at core ${DISTRIBUTE}))
CPUSET=${CPUSETS[${INDEX}]}
NUM_THREADS=$(hwloc-ls --restrict ${CPUSET} --only pu | wc -l)
if [[ "${VERBOSE}" == "True" ]]; then
echo "hwloc: true"
echo " proc_bind: ${PROC_BIND}"
echo " distribute: ${DISTRIBUTE}"
echo " index: ${INDEX}"
echo " parent_cpuset: ${CURRENT_CPUSET}"
echo " cpuset: ${CPUSET}"
echo "omp_num_threads: ${NUM_THREADS}"
echo "omp_proc_bind: ${OPENMP_PROC_BIND}"
echo "omp_nested: ${OPENMP_NESTED}"
echo "OpenMP: ${OPENMP_VERSION}"
fi
# set OMP env
if [[ "${OPENMP_PROC_BIND}" == "True" ]]; then
if [[ "${OPENMP_VERSION}" == "4.0" || "${OPENMP_VERSION}" > "4.0" ]]; then
export OMP_PLACES="threads"
export OMP_PROC_BIND="spread"
else
export OMP_PROC_BIND="true"
unset OMP_PLACES
fi
else
unset OMP_PLACES
unset OMP_PROC_BIND
fi
if [[ "${OPENMP_NESTED}" == "True" ]]; then
export OMP_NESTED="true"
else
export OMP_NESTED="false"
fi
export OMP_NUM_THREADS="${NUM_THREADS}"
hwloc-bind ${CPUSET} -- $@
else
NUM_THREADS=$(cat /proc/cpuinfo | grep -c processor)
if [[ "${VERBOSE}" == "True" ]]; then
echo "hwloc: false"
echo "omp_num_threads: ${NUM_THREADS}"
echo "omp_proc_bind: ${OPENMP_PROC_BIND}"
echo "omp_nested: ${OPENMP_NESTED}"
echo "OpenMP: ${OPENMP_VERSION}"
fi
# set OMP env
if [[ "${OPENMP_PROC_BIND}" == "True" ]]; then
if [[ "${OPENMP_VERSION}" == "4.0" || "${OPENMP_VERSION}" > "4.0" ]]; then
export OMP_PLACES="threads"
export OMP_PROC_BIND="spread"
else
export OMP_PROC_BIND="true"
unset OMP_PLACES
fi
else
unset OMP_PLACES
unset OMP_PROC_BIND
fi
if [[ "${OPENMP_NESTED}" == "True" ]]; then
export OMP_NESTED="true"
else
export OMP_NESTED="false"
fi
export OMP_NUM_THREADS="${NUM_THREADS}"
eval $@
fi
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