Closed pchong90 closed 8 years ago
update: gcc/5.1.0 works fine, the config file
PROJECT=mpqc
module purge
module load gcc/5.1.0
module load cmake
module load eigen
module load mvapich/2.1
module load libint/2.1.0
SOURCE_DIR="${HOME}/Development/source/${PROJECT}"
INSTALL_DIR="${HOME}/Development/install/${PROJECT}_gcc"
source /hyades/home/software/intel/parallel_studio_xe_2013/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh intel64 lp64
cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} \
-DCMAKE_BUILD_TYPE=Debug \
-DCMAKE_CXX_FLAGS="-std=c++11" \
CC=gcc CXX=g++ \
-DMPI_C_COMPILER=mpicc \
-DMPI_CXX_COMPILER=mpicxx \
-DCMAKE_PREFIX_PATH="hyades/home/software/intel/parallel_studio_xe_2013/composer_xe_2015.3.187/mkl/" \
-DTILEDARRAY_DIR=$HOME/Development/install/tiledarray_gcc \
-DLIBINT=${LIBINT_DIR} \
-DBOOST=/hyades/home/valeev/pchong/Development/install/boost/ \
-DMPQC_NEW_FEATURES=1 \
-DEIGEN_INCLUDE_DIR=${EIGEN_INC} \
${SOURCE_DIR}
intel/2015.483 throws error like in previous comment, config file
PROJECT=mpqc
MPI_VENDOR=intel
BLAS_VENDOR=mkl
# Set directory variables
SOURCE_DIR="${HOME}/Development/source/${PROJECT}"
INSTALL_DIR="${HOME}/Development/install/${PROJECT}_intel"
module purge
module load intel/2015.483
module load cmake
module load eigen
module load boost
module load libint/2.1.0
echo ${LIBINT_DIR}
cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_DIR} \
-DCMAKE_BUILD_TYPE=Debug \
-DCMAKE_CXX_FLAGS="-std=c++11" \
CC=icc CXX=icpc \
-DMPI_C_COMPILER=mpiicc \
-DMPI_CXX_COMPILER=mpiicpc \
-DCMAKE_PREFIX_PATH="/hyades/home/software/intel/parallel_studio_xe_2013/impi/5.0.3.048/intel64/;/hyades/home/software/intel/parallel_studio_xe_2013/composer_xe_2015.3.187/mkl/" \
-DTILEDARRAY_DIR=$HOME/Development/install/tiledarray_intel \
-DLIBINT=${LIBINT_DIR} \
-DBOOST=/hyades/home/valeev/pchong/Development/install/boost/ \
-DMPQC_NEW_FEATURES=1 \
-DEIGEN_INCLUDE_DIR=${EIGEN_INC} \
${SOURCE_DIR}
can't reproduce, won't fix
/hyades/home/valeev/pchong/Development/source/mpqc/src/lib/util/misc/xmlwriter.h(359): error: no instance of overloaded function "sc::write_xml" matches the argument list argument types are: (std::vector<std::tuple<int, int, int>, std::allocator<std::tuple<int, int, int>>>, boost::property_tree::ptree, const sc::XMLWriter) return write_xml(std::forward(obj), parent, *this);
^
detected during:
instantiation of "boost::property_tree::ptree &sc::XMLWriter::write_to_xml(T &&, boost::property_tree::ptree &) const [with T=std::vector<std::tuple<int, int, int>, std::allocator<std::tuple<int, int, int>>> &]" at line 318
instantiation of "boost::property_tree::ptree &sc::XMLWriter::insert_child(boost::property_tree::ptree &, T &&, std::string) const [with T=std::vector<std::tuple<int, int, int>, std::allocator<std::tuple<int, int, int>>>]" at line 305 of "/hyades/home/valeev/pchong/Development/source/mpqc/src/lib/chemistry/qc/scf/cadf/statistics.cc"
compilation aborted for /hyades/home/valeev/pchong/Development/source/mpqc/src/lib/chemistry/qc/scf/cadf/statistics.cc (code 2) make[2]: * [src/lib/chemistry/qc/scf/CMakeFiles/scf.dir/cadf/statistics.cc.o] Error 2 make[1]: * [src/lib/chemistry/qc/scf/CMakeFiles/scf.dir/all] Error 2 make: *\ [all] Error 2