forked from lijiext/lammps
USER-INTEL: Adding explicit include path for MKL and updating benchmark script.
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0b34db7881
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039665c635
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@ -10,7 +10,8 @@ CC = mpiicpc
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OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \
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-qopt-zmm-usage=high
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CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \
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-I$(MKLROOT)/include
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SHFLAGS = -fPIC
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DEPFLAGS = -M
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@ -10,7 +10,8 @@ CC = mpiicpc
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OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \
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-qopt-zmm-usage=high
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CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \
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-I$(MKLROOT)/include
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SHFLAGS = -fPIC
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DEPFLAGS = -M
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@ -10,7 +10,8 @@ CC = mpicxx -cxx=icc
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OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \
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-qopt-zmm-usage=high
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CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \
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-I$(MKLROOT)/include
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SHFLAGS = -fPIC
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DEPFLAGS = -M
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@ -11,7 +11,8 @@ CC = mpicxx
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OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \
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-qopt-zmm-usage=high
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CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \
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-I$(MKLROOT)/include
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SHFLAGS = -fPIC
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DEPFLAGS = -M
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@ -9,7 +9,8 @@ SHELL = /bin/sh
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CC = mpiicpc
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OPTFLAGS = -xMIC-AVX512 -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
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CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS)
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-DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \
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-I$(MKLROOT)/include
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SHFLAGS = -fPIC
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DEPFLAGS = -M
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@ -40,7 +40,7 @@ export LMP_THREAD_LIST="2" # -- For 2 threads per core w/ HT enabled
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# End settings for your system
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#########################################################################
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export WORKLOADS="lj rhodo rhodo_lrt lc sw water eam"
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export WORKLOADS="lj rhodo lc sw water eam airebo dpd tersoff"
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export LMP_ARGS="-pk intel 0 -sf intel -screen none -v d 1"
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export RLMP_ARGS="-pk intel 0 lrt yes -sf intel -screen none -v d 1"
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@ -51,7 +51,7 @@ export LOG_DIR=$LOG_DIR_HOST"_"$LOG_DIR_HEADER"_"$DATE_STRING
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mkdir $LOG_DIR
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export I_MPI_PIN_DOMAIN=core
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export I_MPI_FABRICS=shm
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#export I_MPI_FABRICS=shm
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export KMP_BLOCKTIME=0
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echo -n "Creating restart file...."
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@ -59,13 +59,12 @@ $MPI -np $LMP_CORES $LMP_BIN -in in.lc_generate_restart -log none $LMP_ARGS
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echo "Done."
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for threads in $LMP_THREAD_LIST
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do
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export OMP_NUM_THREADS=$threads
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for workload in $WORKLOADS
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do
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export LOGFILE=$LOG_DIR/$workload.$LMP_CORES"c"$threads"t".log
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echo "Running $LOGFILE"
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cmd="$MPI -np $LMP_CORES $LMP_BIN -in in.intel.$workload -log $LOGFILE $LMP_ARGS";
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rthreads=$threads
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export OMP_NUM_THREADS=$threads
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unset KMP_AFFINITY
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$cmd
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