diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu b/src/MAKE/OPTIONS/Makefile.intel_cpu index 831b16d854..f8e5eb3797 100644 --- a/src/MAKE/OPTIONS/Makefile.intel_cpu +++ b/src/MAKE/OPTIONS/Makefile.intel_cpu @@ -10,7 +10,8 @@ CC = mpiicpc OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \ -qopt-zmm-usage=high CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \ - -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) + -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \ + -I$(MKLROOT)/include SHFLAGS = -fPIC DEPFLAGS = -M diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi b/src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi index 926518f354..2c363cb2bf 100644 --- a/src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi +++ b/src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi @@ -10,7 +10,8 @@ CC = mpiicpc OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \ -qopt-zmm-usage=high CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \ - -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) + -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \ + -I$(MKLROOT)/include SHFLAGS = -fPIC DEPFLAGS = -M diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu_mpich b/src/MAKE/OPTIONS/Makefile.intel_cpu_mpich index 61934b69b4..a0730f3402 100644 --- a/src/MAKE/OPTIONS/Makefile.intel_cpu_mpich +++ b/src/MAKE/OPTIONS/Makefile.intel_cpu_mpich @@ -10,7 +10,8 @@ CC = mpicxx -cxx=icc OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \ -qopt-zmm-usage=high CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \ - -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) + -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \ + -I$(MKLROOT)/include SHFLAGS = -fPIC DEPFLAGS = -M diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi b/src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi index ee26443f7d..2e73bb2890 100644 --- a/src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi +++ b/src/MAKE/OPTIONS/Makefile.intel_cpu_openmpi @@ -11,7 +11,8 @@ CC = mpicxx OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits \ -qopt-zmm-usage=high CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \ - -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) + -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \ + -I$(MKLROOT)/include SHFLAGS = -fPIC DEPFLAGS = -M diff --git a/src/MAKE/OPTIONS/Makefile.knl b/src/MAKE/OPTIONS/Makefile.knl index 8e266a4fce..cf7a3f8103 100644 --- a/src/MAKE/OPTIONS/Makefile.knl +++ b/src/MAKE/OPTIONS/Makefile.knl @@ -9,7 +9,8 @@ SHELL = /bin/sh CC = mpiicpc OPTFLAGS = -xMIC-AVX512 -O2 -fp-model fast=2 -no-prec-div -qoverride-limits CCFLAGS = -qopenmp -qno-offload -fno-alias -ansi-alias -restrict \ - -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) + -DLMP_INTEL_USELRT -DLMP_USE_MKL_RNG $(OPTFLAGS) \ + -I$(MKLROOT)/include SHFLAGS = -fPIC DEPFLAGS = -M diff --git a/src/USER-INTEL/TEST/run_benchmarks.sh b/src/USER-INTEL/TEST/run_benchmarks.sh index 10bd79e0d1..e26c633b68 100755 --- a/src/USER-INTEL/TEST/run_benchmarks.sh +++ b/src/USER-INTEL/TEST/run_benchmarks.sh @@ -40,7 +40,7 @@ export LMP_THREAD_LIST="2" # -- For 2 threads per core w/ HT enabled # End settings for your system ######################################################################### -export WORKLOADS="lj rhodo rhodo_lrt lc sw water eam" +export WORKLOADS="lj rhodo lc sw water eam airebo dpd tersoff" export LMP_ARGS="-pk intel 0 -sf intel -screen none -v d 1" export RLMP_ARGS="-pk intel 0 lrt yes -sf intel -screen none -v d 1" @@ -51,7 +51,7 @@ export LOG_DIR=$LOG_DIR_HOST"_"$LOG_DIR_HEADER"_"$DATE_STRING mkdir $LOG_DIR export I_MPI_PIN_DOMAIN=core -export I_MPI_FABRICS=shm +#export I_MPI_FABRICS=shm export KMP_BLOCKTIME=0 echo -n "Creating restart file...." @@ -59,13 +59,12 @@ $MPI -np $LMP_CORES $LMP_BIN -in in.lc_generate_restart -log none $LMP_ARGS echo "Done." for threads in $LMP_THREAD_LIST do - export OMP_NUM_THREADS=$threads for workload in $WORKLOADS do export LOGFILE=$LOG_DIR/$workload.$LMP_CORES"c"$threads"t".log echo "Running $LOGFILE" cmd="$MPI -np $LMP_CORES $LMP_BIN -in in.intel.$workload -log $LOGFILE $LMP_ARGS"; - rthreads=$threads + export OMP_NUM_THREADS=$threads unset KMP_AFFINITY $cmd