Add Summit XL OpenMP offload + CUDA build script.

config/build_olcf_summit_XL.sh

@@ -0,0 +1,56 @@
+#!/bin/bash
+echo "Purging current module set"
+module purge
+echo "Loading QMCPACK dependency modules for summit"
+module load xl
+module load spectrum-mpi
+module load cmake
+module load git
+module load cuda
+module load essl
+module load netlib-lapack
+module load hdf5
+
+#the XL built fftw is buggy, use the gcc version
+#module load fftw
+export FFTW_HOME=/autofs/nccs-svm1_sw/summit/.swci/1-compute/opt/spack/20180914/linux-rhel7-ppc64le/gcc-6.4.0/fftw-3.3.8-5gcj2ic4el7acu3rqnfnh735jz2ez7j5
+export BOOST_ROOT=/autofs/nccs-svm1_sw/summit/.swci/1-compute/opt/spack/20180914/linux-rhel7-ppc64le/gcc-6.4.0/boost-1.66.0-l3sghp3ggjzwi4vtvyb5yzsjm36npgrk
+
+TYPE=Release
+Compiler=XL
+
+for name in offload_real_MP offload_real # offload_cplx offload_cplx_MP
+do
+
+CMAKE_FLAGS="-D CMAKE_BUILD_TYPE=$TYPE -D ENABLE_CUDA=1 -D CUDA_ARCH=sm_70"
+if [[ $name == *"cplx"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_COMPLEX=1"
+fi
+
+if [[ $name == *"_MP"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_MIXED_PRECISION=1"
+fi
+
+if [[ $name == *"offload"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -D ENABLE_OFFLOAD=1"
+fi
+
+folder=build_summit_${Compiler}_${name}
+echo "**********************************"
+echo "$folder"
+echo "$CMAKE_FLAGS"
+echo "**********************************"
+mkdir $folder
+cd $folder
+if [ ! -f CMakeCache.txt ] ; then
+cmake $CMAKE_FLAGS -D CMAKE_C_COMPILER=mpixlc -D CMAKE_CXX_COMPILER=mpixlC -D CMAKE_C_FLAGS=-qarch=pwr9 \
+  -D CMAKE_CXX_FLAGS="-qarch=pwr9 -D__cplusplus=201402L -isystem /sw/summit/gcc/6.4.0/include/c++/6.4.0/powerpc64le-none-linux-gnu -qgcc_cpp_stdinc=/sw/summit/gcc/6.4.0/include/c++/6.4.0" \
+  -D CMAKE_CXX_STANDARD_LIBRARIES=/sw/summit/gcc/6.4.0/lib64/libstdc++.a \
+  -D BLAS_essl_LIBRARY=$OLCF_ESSL_ROOT/lib64/libessl.so ..
+cmake ..
+fi
+make -j24
+cd ..
+
+echo
+done