From 0dee5bd402acd3f2fc7753644da98bebfb3ea0b0 Mon Sep 17 00:00:00 2001 From: Peter Doak Date: Wed, 29 May 2019 12:25:53 -0400 Subject: [PATCH 1/4] configuration for pycicle MINIQMC CI --- pycicle_config/miniqmc/cadesGPUgcc.cmake | 140 +++++++++++++++++++++++ pycicle_config/miniqmc/miniqmc.cmake | 10 ++ 2 files changed, 150 insertions(+) create mode 100644 pycicle_config/miniqmc/cadesGPUgcc.cmake create mode 100644 pycicle_config/miniqmc/miniqmc.cmake diff --git a/pycicle_config/miniqmc/cadesGPUgcc.cmake b/pycicle_config/miniqmc/cadesGPUgcc.cmake new file mode 100644 index 000000000..6df9db871 --- /dev/null +++ b/pycicle_config/miniqmc/cadesGPUgcc.cmake @@ -0,0 +1,140 @@ +# Copyright (c) 2019 Peter Doak +# Copyright (c) 2017-2019 John Biddiscombe +# +# Distributed under the Boost Software License, Version 1.0. (See accompanying +# file LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt) + +####################################################################### +# These settings control how jobs are launched and results collected +####################################################################### +# the name used to ssh into the machine +set(PYCICLE_MACHINE "local") +# the root location of the build/test tree on the machine +set(PYCICLE_ROOT "/lustre/or-hydra/cades-cnms/epd/MINIQMC_CI") +# a flag that says if the machine can send http results to cdash +set(PYCICLE_HTTP TRUE) +# Launch jobs using pbs rather than directly running them on the machine +set(PYCICLE_JOB_LAUNCH "pbs") +set(PYCICLE_COMPILER_TYPE "gcc" ) +set(PYCICLE_BUILD_TYPE "Release") + +# These versions are ok for gcc or clang +set(BOOST_VER "1.65.0") +set(HWLOC_VER "1.11.7") +set(JEMALLOC_VER "5.0.1") +set(OTF2_VER "2.0") +set(PAPI_VER "5.5.1") +set(BOOST_SUFFIX "1_65_0") +set(CMAKE_VER "3.9.1") + +if (PYCICLE_COMPILER_TYPE MATCHES "gcc") + set(GCC_VER "6.5.0") + set(PYCICLE_BUILD_STAMP "CUDA9_2-gcc-${GCC_VER}") + # + #set(INSTALL_ROOT "/apps/daint/UES/6.0.UP04/HPX") + # + set(CFLAGS "-fPIC -march=native -mtune=native -ffast-math") + set(CXXFLAGS "-fPIC -march=native -mtune=native -ffast-math") + set(CUDA_DIR "/software/dev_tools/swtree/cs400_centos7.2_pe2016-08/cuda/9.2/centos7.2_binary") + set(LDFLAGS "-L/software/dev_tools/swtree/cs400_centos7.2_pe2016-08/gcc/5.3.0/centos7.2_gcc4.8.5/lib64 -Wl,-rpath,/software/dev_tools/swtree/cs400_centos7.2_pe2016-08/gcc/5.3.0/centos7.2_gcc4.8.5/lib64 -L${CUDA_DIR}/lib64 -Wl,-rpath,${CUDA_DIR}/lib64") + set(LDCXXFLAGS "${LDFLAGS}") + set(FFTW_DIR "/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-6.5.0/fftw-3.3.8-kpdartcqxfk2kdsbcfdtwin75s24z5uu") + set(HDF5_DIR "/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-6.5.0/hdf5-1.10.4-4gmsnjn7fozngnc3gwckwnoi2dq53yon") + #set by module load cuda/9.2 + set(MAGMA_DIR "/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-6.5.0/magma-2.4.0-ndhxaftye4ji5bckhwjv23f5rhvrebai") + # multiline string + set(PYCICLE_COMPILER_SETUP " + # + spack load gcc/egooyqw + spack load cmake/q76ndqk + spack load git@2.12.1 + spack load fftw/kpdartc + spack load cmake/q76ndqk + spack load mpich/6zgajlw + spack load hdf5/4gmsnjn + module load cuda/9.2 + spack load load magma/ndhxaft + # + # use openmpi compiler wrappers to make MPI use easy + export CC=mpicc + export CXX=mpic++ + export CUDA_DIR=\"${CUDA_DIR}\" + # + #export CFLAGS=\"${CFLAGS}\" + #export CXXFLAGS=\"${CXXFLAGS}\" + export LDFLAGS=\"${LDFLAGS}\" + export LDCXXFLAGS=\"${LDCXXFLAGS}\" + ") + +elseif(PYCICLE_COMPILER_TYPE MATCHES "clang") +endif() + +# set(HWLOC_ROOT "${INSTALL_ROOT}/hwloc/${HWLOC_VER}") +# set(JEMALLOC_ROOT "${INSTALL_ROOT}/jemalloc/${JEMALLOC_VER}") +# set(OTF2_ROOT "${INSTALL_ROOT}/otf2/${OTF2_VER}") +# set(PAPI_ROOT "${INSTALL_ROOT}/papi/${PAPI_VER}") +# set(PAPI_INCLUDE_DIR "${INSTALL_ROOT}/papi/${PAPI_VER}/include") +# set(PAPI_LIBRARY "${INSTALL_ROOT}/papi/${PAPI_VER}/lib/libpfm.so") + +set(CTEST_SITE "CADES_CONDO-${PYCICLE_BUILD_STAMP}") +set(CTEST_CMAKE_GENERATOR "Unix Makefiles") +set(CTEST_TEST_TIMEOUT "600") + +set(CTEST_PROJECT_NAME "miniqmc") +set(CTEST_DROP_METHOD "https") +set(CTEST_DROP_SITE "cdash-minimal.ornl.gov") +set(CTEST_DROP_LOCATION "/cdash/submit.php?project=miniqmc") +set(CTEST_DROP_SITE_CDASH TRUE) + + +set(BUILD_PARALLELISM "16") + +####################################################################### +# The string that is used to drive cmake config step +# ensure options (e.g.FLAGS) that have multiple args are escaped +####################################################################### +# "\"-DCMAKE_C_FLAGS=${CFLAGS}\" " + + +string(CONCAT CTEST_BUILD_OPTIONS ${CTEST_BUILD_OPTIONS} + "\"-DCMAKE_CXX_COMPILER=mpic++\" " + "\"-DCMAKE_C_COMPILER=mpicc\" " + "\"-DCMAKE_C_FLAGS=${CFLAGS}\" " + "\"-DCMAKE_CXX_FLAGS=${CXXFLAGS}\" " + "\"-DCMAKE_EXE_LINKER_FLAGS=-L/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.2.0/gcc-6.5.0-egooyqwfmyg6msi5xykwsvniotp774yx/lib64 -Wl,-rpath,/software/user_tools/centos-7.2.1511/cades-cnms/spack/opt/spack/linux-centos7-x86_64/gcc-8.2.0/gcc-6.5.0-egooyqwfmyg6msi5xykwsvniotp774yx/lib64 -L${CUDA_DIR}/lib64 -Wl,-rpath,${CUDA_DIR}/lib64\" " + "\"-DCMAKE_BUILD_TYPE=Release\" " + "\"-DQMC_USE_CUDA=1\" " + "\"-DCUDA_TOOLKIT_ROOT_DIR=${CUDA_DIR}\" " + "\"-DCUDA_NVCC_FLAGS=-std=c++14;-arch=sm_60;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;--default-stream per-thread\" " + "\"-DENABLE_TIMERS=1\" " + "\"-DFFTW_INCLUDE_DIR=${FFTW_DIR}/include\" " + "\"-DFFTW_LIBRARY=${FFTW_DIR}/lib/libfftw3.a\" " + ) + +####################################################################### +# Setup a slurm job submission template +# note that this is intentionally multiline +####################################################################### +set(PYCICLE_JOB_SCRIPT_TEMPLATE "#!/bin/bash +#PBS -S /bin/bash +#PBS -m be +#PBS -N miniqmc-${PYCICLE_PR}-${PYCICLE_BUILD_STAMP} +#PBS -l nodes=1:ppn=36:gpu_p100 +#PBS -l walltime=02:00:00 +#PBS -q gpu_p100 +#PBS -A ccsd +#PBS -W group_list=cades-ccsd +#PBS -l qos=std +#PBS -l naccesspolicy=singlejob + +# --------------------- +# unload or load modules that differ from the defaults on the system +# --------------------- +. /software/user_tools/current/cades-cnms/spack/share/spack/setup-env.sh +# +# --------------------- +# setup stuff that might differ between compilers +# --------------------- +${PYCICLE_COMPILER_SETUP} +" +) diff --git a/pycicle_config/miniqmc/miniqmc.cmake b/pycicle_config/miniqmc/miniqmc.cmake new file mode 100644 index 000000000..a4e09ec16 --- /dev/null +++ b/pycicle_config/miniqmc/miniqmc.cmake @@ -0,0 +1,10 @@ +# Copyright (c) 2019 Peter Doak +# +# Distributed under the Boost Software License, Version 1.0. (See accompanying +# file LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt) + +# Github settings +set(PYCICLE_GITHUB_PROJECT_NAME "miniqmc") +set(PYCICLE_GITHUB_ORGANIZATION "QMCPACK" +set(PYCICLE_GITHUB_BASE_BRANCH "develop") +set(PYCICLE_CTEST_BUILD_TARGET "all") From 5dbe7fb7f00b4791125607662cf4e8aa6479c63a Mon Sep 17 00:00:00 2001 From: Peter Doak Date: Wed, 29 May 2019 12:50:01 -0400 Subject: [PATCH 2/4] build config for leconte --- pycicle_config/miniqmc/leconteGCC7CUDA10 | 109 +++++++++++++++++++++++ 1 file changed, 109 insertions(+) create mode 100644 pycicle_config/miniqmc/leconteGCC7CUDA10 diff --git a/pycicle_config/miniqmc/leconteGCC7CUDA10 b/pycicle_config/miniqmc/leconteGCC7CUDA10 new file mode 100644 index 000000000..8fb9746fb --- /dev/null +++ b/pycicle_config/miniqmc/leconteGCC7CUDA10 @@ -0,0 +1,109 @@ +# Copyright (c) 2019 Peter Doak +# +# Distributed under the Boost Software License, Version 1.0. (See accompanying +# file LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt) + +####################################################################### +# These settings control how jobs are launched and results collected +####################################################################### +# the name used to ssh into the machine +set(PYCICLE_MACHINE "local") +# the root location of the build/test tree on the machine +set(PYCICLE_ROOT "/home/epd/CI/miniqmc") +# a flag that says if the machine can send http results to cdash +set(PYCICLE_HTTP TRUE) +set(PYCICLE_COMPILER_TYPE "gcc" ) +set(PYCICLE_BUILD_TYPE "Release") + +# These versions are ok for gcc or clang +set(BOOST_VER "1.69.0") +set(CMAKE_VER "3.14.0") + +set(GCC_VER "7.3.0") +set(PYCICLE_BUILD_STAMP "power9_CUDA10_1-gcc-${GCC_VER}") +set(CFLAGS "-fPIC -march=native -mtune=native -ffast-math") +set(CXXFLAGS "-fPIC -march=native -mtune=native -ffast-math") +set(CUDA_DIR "/usr/local/cuda-10.1") +set(LDFLAGS "-L/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -Wl,-rpath,/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -L${CUDA_DIR}/lib64 -Wl,-rpath,${CUDA_DIR}/lib64") +set(LDCXXFLAGS "${LDFLAGS}") + +set(PYCICLE_COMPILER_SETUP " + # + module load Core/gcc/7.3.0 + module load gcc/7.3.0/git + module load gcc/7.3.0/boost + module load cuda/10.1 + module load gcc/7.3.0/cmake + + # + # use openmpi compiler wrappers to make MPI use easy + export CC=mpicc + export CXX=mpic++ + export CUDA_DIR=\"${CUDA_DIR}\" + # + #export CFLAGS=\"${CFLAGS}\" + #export CXXFLAGS=\"${CXXFLAGS}\" + export LDFLAGS=\"${LDFLAGS}\" + export LDCXXFLAGS=\"${LDCXXFLAGS}\" + ") + +set(CTEST_SITE "LECONTE-${PYCICLE_BUILD_STAMP}") +set(CTEST_CMAKE_GENERATOR "Unix Makefiles") +set(CTEST_TEST_TIMEOUT "600") + +set(CTEST_PROJECT_NAME "miniqmc") +set(CTEST_DROP_METHOD "https") +set(CTEST_DROP_SITE "cdash-minimal.ornl.gov") +set(CTEST_DROP_LOCATION "/cdash/submit.php?project=miniqmc") +set(CTEST_DROP_SITE_CDASH TRUE) + + +set(BUILD_PARALLELISM "16") + +####################################################################### +# The string that is used to drive cmake config step +# ensure options (e.g.FLAGS) that have multiple args are escaped +####################################################################### +# "\"-DCMAKE_C_FLAGS=${CFLAGS}\" " + + +string(CONCAT CTEST_BUILD_OPTIONS ${CTEST_BUILD_OPTIONS} + "\"-DCMAKE_CXX_COMPILER=mpic++\" " + "\"-DCMAKE_C_COMPILER=mpicc\" " + "\"-DCMAKE_C_FLAGS=${CFLAGS}\" " + "\"-DCMAKE_CXX_FLAGS=${CXXFLAGS}\" " + "\"-DCMAKE_EXE_LINKER_FLAGS=${LDFLAGS}\" " + "\"-DCMAKE_BUILD_TYPE=Release\" " + "\"-DQMC_USE_CUDA=1\" " + "\"-DCUDA_TOOLKIT_ROOT_DIR=${CUDA_DIR}\" " + "\"-DCUDA_NVCC_FLAGS=-std=c++14;-arch=sm_60;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;--default-stream per-thread\" " + "\"-DENABLE_TIMERS=1\" " + ) + +####################################################################### +# Setup a slurm job submission template +# note that this is intentionally multiline +####################################################################### +set(PYCICLE_JOB_SCRIPT_TEMPLATE "#!/bin/bash +#PBS -S /bin/bash +#PBS -m be +#PBS -N miniqmc-${PYCICLE_PR}-${PYCICLE_BUILD_STAMP} +#PBS -l nodes=1:ppn=36:gpu_p100 +#PBS -l walltime=02:00:00 +#PBS -q gpu_p100 +#PBS -A ccsd +#PBS -W group_list=cades-ccsd +#PBS -l qos=std +#PBS -l naccesspolicy=singlejob + +# --------------------- +# unload or load modules that differ from the defaults on the system +# --------------------- +. /software/user_tools/current/cades-cnms/spack/share/spack/setup-env.sh +# +# --------------------- +# setup stuff that might differ between compilers +# --------------------- +${PYCICLE_COMPILER_SETUP} +" +) From 07005d601dac6b75a6c37647c808156cd5177f0d Mon Sep 17 00:00:00 2001 From: Peter Doak Date: Wed, 29 May 2019 16:29:58 -0400 Subject: [PATCH 3/4] correct names --- .../miniqmc/leconteGCC7CUDA10.cmake | 109 ++++++++++++++++++ pycicle_config/miniqmc/miniqmc.cmake | 2 +- 2 files changed, 110 insertions(+), 1 deletion(-) create mode 100644 pycicle_config/miniqmc/leconteGCC7CUDA10.cmake diff --git a/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake b/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake new file mode 100644 index 000000000..8fb9746fb --- /dev/null +++ b/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake @@ -0,0 +1,109 @@ +# Copyright (c) 2019 Peter Doak +# +# Distributed under the Boost Software License, Version 1.0. (See accompanying +# file LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt) + +####################################################################### +# These settings control how jobs are launched and results collected +####################################################################### +# the name used to ssh into the machine +set(PYCICLE_MACHINE "local") +# the root location of the build/test tree on the machine +set(PYCICLE_ROOT "/home/epd/CI/miniqmc") +# a flag that says if the machine can send http results to cdash +set(PYCICLE_HTTP TRUE) +set(PYCICLE_COMPILER_TYPE "gcc" ) +set(PYCICLE_BUILD_TYPE "Release") + +# These versions are ok for gcc or clang +set(BOOST_VER "1.69.0") +set(CMAKE_VER "3.14.0") + +set(GCC_VER "7.3.0") +set(PYCICLE_BUILD_STAMP "power9_CUDA10_1-gcc-${GCC_VER}") +set(CFLAGS "-fPIC -march=native -mtune=native -ffast-math") +set(CXXFLAGS "-fPIC -march=native -mtune=native -ffast-math") +set(CUDA_DIR "/usr/local/cuda-10.1") +set(LDFLAGS "-L/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -Wl,-rpath,/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -L${CUDA_DIR}/lib64 -Wl,-rpath,${CUDA_DIR}/lib64") +set(LDCXXFLAGS "${LDFLAGS}") + +set(PYCICLE_COMPILER_SETUP " + # + module load Core/gcc/7.3.0 + module load gcc/7.3.0/git + module load gcc/7.3.0/boost + module load cuda/10.1 + module load gcc/7.3.0/cmake + + # + # use openmpi compiler wrappers to make MPI use easy + export CC=mpicc + export CXX=mpic++ + export CUDA_DIR=\"${CUDA_DIR}\" + # + #export CFLAGS=\"${CFLAGS}\" + #export CXXFLAGS=\"${CXXFLAGS}\" + export LDFLAGS=\"${LDFLAGS}\" + export LDCXXFLAGS=\"${LDCXXFLAGS}\" + ") + +set(CTEST_SITE "LECONTE-${PYCICLE_BUILD_STAMP}") +set(CTEST_CMAKE_GENERATOR "Unix Makefiles") +set(CTEST_TEST_TIMEOUT "600") + +set(CTEST_PROJECT_NAME "miniqmc") +set(CTEST_DROP_METHOD "https") +set(CTEST_DROP_SITE "cdash-minimal.ornl.gov") +set(CTEST_DROP_LOCATION "/cdash/submit.php?project=miniqmc") +set(CTEST_DROP_SITE_CDASH TRUE) + + +set(BUILD_PARALLELISM "16") + +####################################################################### +# The string that is used to drive cmake config step +# ensure options (e.g.FLAGS) that have multiple args are escaped +####################################################################### +# "\"-DCMAKE_C_FLAGS=${CFLAGS}\" " + + +string(CONCAT CTEST_BUILD_OPTIONS ${CTEST_BUILD_OPTIONS} + "\"-DCMAKE_CXX_COMPILER=mpic++\" " + "\"-DCMAKE_C_COMPILER=mpicc\" " + "\"-DCMAKE_C_FLAGS=${CFLAGS}\" " + "\"-DCMAKE_CXX_FLAGS=${CXXFLAGS}\" " + "\"-DCMAKE_EXE_LINKER_FLAGS=${LDFLAGS}\" " + "\"-DCMAKE_BUILD_TYPE=Release\" " + "\"-DQMC_USE_CUDA=1\" " + "\"-DCUDA_TOOLKIT_ROOT_DIR=${CUDA_DIR}\" " + "\"-DCUDA_NVCC_FLAGS=-std=c++14;-arch=sm_60;-Drestrict=__restrict__;-DNO_CUDA_MAIN;-O3;--default-stream per-thread\" " + "\"-DENABLE_TIMERS=1\" " + ) + +####################################################################### +# Setup a slurm job submission template +# note that this is intentionally multiline +####################################################################### +set(PYCICLE_JOB_SCRIPT_TEMPLATE "#!/bin/bash +#PBS -S /bin/bash +#PBS -m be +#PBS -N miniqmc-${PYCICLE_PR}-${PYCICLE_BUILD_STAMP} +#PBS -l nodes=1:ppn=36:gpu_p100 +#PBS -l walltime=02:00:00 +#PBS -q gpu_p100 +#PBS -A ccsd +#PBS -W group_list=cades-ccsd +#PBS -l qos=std +#PBS -l naccesspolicy=singlejob + +# --------------------- +# unload or load modules that differ from the defaults on the system +# --------------------- +. /software/user_tools/current/cades-cnms/spack/share/spack/setup-env.sh +# +# --------------------- +# setup stuff that might differ between compilers +# --------------------- +${PYCICLE_COMPILER_SETUP} +" +) diff --git a/pycicle_config/miniqmc/miniqmc.cmake b/pycicle_config/miniqmc/miniqmc.cmake index a4e09ec16..a79f6bdc3 100644 --- a/pycicle_config/miniqmc/miniqmc.cmake +++ b/pycicle_config/miniqmc/miniqmc.cmake @@ -5,6 +5,6 @@ # Github settings set(PYCICLE_GITHUB_PROJECT_NAME "miniqmc") -set(PYCICLE_GITHUB_ORGANIZATION "QMCPACK" +set(PYCICLE_GITHUB_ORGANISATION "QMCPACK" set(PYCICLE_GITHUB_BASE_BRANCH "develop") set(PYCICLE_CTEST_BUILD_TARGET "all") From 8ee4b93b900dbf082bc163dd5fcefbf73c6aafea Mon Sep 17 00:00:00 2001 From: Peter Doak Date: Wed, 29 May 2019 16:36:44 -0400 Subject: [PATCH 4/4] adding missing mpich module --- pycicle_config/miniqmc/leconteGCC7CUDA10.cmake | 7 ++++--- pycicle_config/miniqmc/miniqmc.cmake | 2 +- 2 files changed, 5 insertions(+), 4 deletions(-) diff --git a/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake b/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake index 8fb9746fb..38729d3e1 100644 --- a/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake +++ b/pycicle_config/miniqmc/leconteGCC7CUDA10.cmake @@ -21,8 +21,8 @@ set(CMAKE_VER "3.14.0") set(GCC_VER "7.3.0") set(PYCICLE_BUILD_STAMP "power9_CUDA10_1-gcc-${GCC_VER}") -set(CFLAGS "-fPIC -march=native -mtune=native -ffast-math") -set(CXXFLAGS "-fPIC -march=native -mtune=native -ffast-math") +set(CFLAGS "") +set(CXXFLAGS "") set(CUDA_DIR "/usr/local/cuda-10.1") set(LDFLAGS "-L/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -Wl,-rpath,/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -L${CUDA_DIR}/lib64 -Wl,-rpath,${CUDA_DIR}/lib64") set(LDCXXFLAGS "${LDFLAGS}") @@ -34,6 +34,7 @@ set(PYCICLE_COMPILER_SETUP " module load gcc/7.3.0/boost module load cuda/10.1 module load gcc/7.3.0/cmake + module load gcc/7.3.0/mpich # # use openmpi compiler wrappers to make MPI use easy @@ -99,7 +100,7 @@ set(PYCICLE_JOB_SCRIPT_TEMPLATE "#!/bin/bash # --------------------- # unload or load modules that differ from the defaults on the system # --------------------- -. /software/user_tools/current/cades-cnms/spack/share/spack/setup-env.sh + # # --------------------- # setup stuff that might differ between compilers diff --git a/pycicle_config/miniqmc/miniqmc.cmake b/pycicle_config/miniqmc/miniqmc.cmake index a79f6bdc3..d3ca9ab82 100644 --- a/pycicle_config/miniqmc/miniqmc.cmake +++ b/pycicle_config/miniqmc/miniqmc.cmake @@ -5,6 +5,6 @@ # Github settings set(PYCICLE_GITHUB_PROJECT_NAME "miniqmc") -set(PYCICLE_GITHUB_ORGANISATION "QMCPACK" +set(PYCICLE_GITHUB_ORGANISATION "QMCPACK") set(PYCICLE_GITHUB_BASE_BRANCH "develop") set(PYCICLE_CTEST_BUILD_TARGET "all")