mirror of https://github.com/QMCPACK/qmcpack.git
Merge pull request #363 from grahamlopez/ci_issues_323_340
Ci issues 323 340
This commit is contained in:
commit
8c006b2841
|
@ -30,7 +30,15 @@ mkdir -p build
|
|||
|
||||
cd build
|
||||
|
||||
cmake -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_gnu4.8.2/include" ..
|
||||
cmake -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_gnu4.8.2/include" .. 2>&1 | tee cmake.out
|
||||
|
||||
# hacky way to check on cmake. works for now
|
||||
if ! ( grep -- '-- The C compiler identification is GNU 5.3.0' cmake.out && \
|
||||
grep -- '-- The CXX compiler identification is GNU 5.3.0' cmake.out ) ;
|
||||
then
|
||||
echo "compiler version mismatch. exiting."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
make -j 24
|
||||
|
||||
|
|
|
@ -0,0 +1,72 @@
|
|||
#!/bin/bash -x
|
||||
|
||||
BUILD_DIR=$(pwd)
|
||||
echo $BUILD_DIR
|
||||
|
||||
cat > $BUILD_TAG.pbs << EOF
|
||||
#PBS -A MAT151
|
||||
#PBS -N $BUILD_TAG
|
||||
#PBS -j oe
|
||||
#PBS -l walltime=1:00:00,nodes=1
|
||||
#PBS -d $BUILD_DIR
|
||||
#PBS -l partition=rhea
|
||||
|
||||
cd $BUILD_DIR
|
||||
|
||||
source /sw/rhea/environment-modules/3.2.10/rhel6.7_gnu4.4.7/init/bash
|
||||
|
||||
module unload PE-intel
|
||||
module load PE-gnu/5.3.0-1.10.2
|
||||
module load fftw
|
||||
export FFTW_HOME=\$FFTW3_DIR
|
||||
module load hdf5
|
||||
module load git
|
||||
|
||||
env
|
||||
|
||||
module list
|
||||
|
||||
mkdir -p build
|
||||
|
||||
cd build
|
||||
|
||||
cmake -DQMC_MIXED_PRECISION=1 -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_gnu4.8.2/include" .. 2>&1 | tee cmake.out
|
||||
|
||||
# hacky way to check on cmake. works for now
|
||||
if ! ( grep -- '-- The C compiler identification is GNU 5.3.0' cmake.out && \
|
||||
grep -- '-- The CXX compiler identification is GNU 5.3.0' cmake.out ) ;
|
||||
then
|
||||
echo "compiler version mismatch. exiting."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
if ! ( grep 'Base precision = float' cmake.out ) ;
|
||||
then
|
||||
echo "mixed precision not enabled. exiting."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
make -j 24
|
||||
|
||||
ctest -L unit
|
||||
#ctest -R short-LiH_dimer_ae-vmc_hf_noj-16-1
|
||||
|
||||
EOF
|
||||
|
||||
cp $BUILD_TAG.pbs $BUILD_DIR
|
||||
|
||||
cd $BUILD_DIR
|
||||
|
||||
source scl_source enable rh-python35
|
||||
which python
|
||||
|
||||
$BUILD_DIR/../../../scripts/blocking_qsub.py $BUILD_DIR $BUILD_TAG.pbs
|
||||
|
||||
## this end of job logic could probably be more elegant
|
||||
## hacks to get us going
|
||||
|
||||
cp $BUILD_DIR/$BUILD_TAG.o* ../
|
||||
|
||||
# explicitly check for correct test output
|
||||
|
||||
grep '100% tests passed, 0 tests failed out of [0-9]*' ../$BUILD_TAG.o*
|
|
@ -31,7 +31,15 @@ mkdir -p build
|
|||
|
||||
cd build
|
||||
|
||||
cmake -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DCMAKE_CXX_FLAGS="-mno-bmi2 -mno-avx2" -DCMAKE_C_FLAGS="-mno-bmi2 -mno-avx2" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_intel14.0.4/include" -DQMC_CUDA=1 ..
|
||||
cmake -DCMAKE_C_COMPILER="mpicc" -DCMAKE_CXX_COMPILER="mpicxx" -DCMAKE_CXX_FLAGS="-mno-bmi2 -mno-avx2" -DCMAKE_C_FLAGS="-mno-bmi2 -mno-avx2" -DBLAS_blas_LIBRARY="/usr/lib64/libblas.so.3" -DLAPACK_lapack_LIBRARY="/usr/lib64/atlas/liblapack.so.3" -DHDF5_INCLUDE_DIR="/sw/rhea/hdf5/1.8.11/rhel6.6_intel14.0.4/include" -DQMC_CUDA=1 .. 2>&1 | tee cmake.out
|
||||
|
||||
# hacky way to check on cmake. works for now
|
||||
if ! ( grep -- '-- The C compiler identification is GNU 5.3.0' cmake.out && \
|
||||
grep -- '-- The CXX compiler identification is GNU 5.3.0' cmake.out ) ;
|
||||
then
|
||||
echo "compiler version mismatch. exiting."
|
||||
exit 1
|
||||
fi
|
||||
|
||||
# because Andreas tells me (and I observe) that GPU builds are unstable with Cmake
|
||||
make -j 1
|
||||
|
|
Loading…
Reference in New Issue