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[WIP] Pycicle support #235

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[WIP] Pycicle support #235

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0dee5bd
configuration for pycicle MINIQMC CI
PDoakORNL May 29, 2019
5dbe7fb
build config for leconte
PDoakORNL May 29, 2019
07005d6
correct names
PDoakORNL May 29, 2019
8ee4b93
adding missing mpich module
PDoakORNL May 29, 2019
225c8de
Merge branch 'develop' into pycicle_support
PDoakORNL May 30, 2019
1a0eea6
Merge branch 'develop' into pycicle_support
PDoakORNL Jun 11, 2019
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140 changes: 140 additions & 0 deletions pycicle_config/miniqmc/cadesGPUgcc.cmake
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# 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}
"
)
109 changes: 109 additions & 0 deletions pycicle_config/miniqmc/leconteGCC7CUDA10
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# 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}
"
)
110 changes: 110 additions & 0 deletions pycicle_config/miniqmc/leconteGCC7CUDA10.cmake
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# 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-${GCC_VER}")
set(CFLAGS "")
set(CXXFLAGS "")
set(CUDA_DIR "/usr/local/cuda-10.1")
set(LDFLAGS "-L/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -Wl,-rpath,/home/epd/spack/opt/spack/linux-centos7-ppc64le/gcc-4.8.5/gcc-7.3.0-bco5a3lq3pzlot65mqywljwofqhsgxim/lib64 -L${CUDA_DIR}/lib64 -Wl,-rpath,${CUDA_DIR}/lib64")
set(LDCXXFLAGS "${LDFLAGS}")

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
module load gcc/7.3.0/mpich

#
# 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
# ---------------------

#
# ---------------------
# setup stuff that might differ between compilers
# ---------------------
${PYCICLE_COMPILER_SETUP}
"
)
10 changes: 10 additions & 0 deletions pycicle_config/miniqmc/miniqmc.cmake
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# 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_ORGANISATION "QMCPACK")
set(PYCICLE_GITHUB_BASE_BRANCH "develop")
set(PYCICLE_CTEST_BUILD_TARGET "all")