diff --git a/config/build_titan.sh b/config/build_titan.sh new file mode 100755 index 000000000..37bcaa191 --- /dev/null +++ b/config/build_titan.sh @@ -0,0 +1,82 @@ +#!/bin/bash + +################################################################ +## * This script builds available configurations of QMCPACK ## +## on Titan, Oak Ridge National Lab. ## +## ## +## * Execute this script in trunk/ ## +## ./config/build_titan.sh ## +## ## +## (c) Scientific Computing Group, NCCS, ORNL. ## +## Last modified: Jan 28, 2016 ## +################################################################ + + +# Load required modules (assuming default settings have not been modified) +source $MODULESHOME/init/bash +if (echo $LOADEDMODULES | grep -q pgi) +then +module unload PrgEnv-pgi +fi +if (echo $LOADEDMODULES | grep -q cuda) +then +module unload cudatoolkit +fi +module load PrgEnv-gnu +module load cray-hdf5 +module load fftw +module load boost +module load subversion +module load cmake3 + + +# Set environment variables +export FFTW_HOME=$FFTW_DIR/.. + + +# Set cmake variables, shared for cpu builds +CMAKE_FLAGS="-D QMC_INCLUDE=/sw/xk7/amdlibm/include \ + -D QMC_EXTRA_LIBS=/sw/xk7/amdlibm/lib/static/libamdlibm.a" + + +# Configure and build cpu real +echo "" +echo "" +echo "building qmcpack for cpu real" +mkdir build_cpu_real +cd build_cpu_real +cmake $CMAKE_FLAGS .. +make -j 32 +cd .. +ln -s ./build_cpu_real/bin/qmcapp ./qmcapp_cpu_real + + +# Configure and build cpu complex +echo "" +echo "" +echo "building qmcpack for cpu complex" +mkdir build_cpu_comp +cd build_cpu_comp +cmake -DQMC_COMPLEX=1 $CMAKE_FLAGS .. +make -j 32 +cd .. +ln -s ./build_cpu_comp/bin/qmcapp ./qmcapp_cpu_comp + + +# load cuda toolkit for gpu build +module load cudatoolkit + + +# Configure and build gpu real +echo "" +echo "" +echo "building qmcpack for gpu real" +mkdir build_gpu_real +cd build_gpu_real +cmake -DQMC_CUDA=1 .. +make -j 32 +cd .. +ln -s ./build_gpu_real/bin/qmcapp ./qmcapp_gpu_real + + +