refactor and repair the spack environment
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e5c61c2db1
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@ -4,7 +4,13 @@ set -euo pipefail
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gcc_spec='gcc@9.4.0'
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cuda_spec='cuda@11.4.0'
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hdf5_spec='hdf5@1.10.7'
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# hdf5 and fftw depend on OpenMPI, which we install manually. To make sure this
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# dependency is picked by spack, we specify the compiler here explicitly. For
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# most other packages we dont really care about the compiler (i.e. system
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# compiler versus ${gcc_spec})
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hdf5_spec="hdf5@1.10.7+cxx+threadsafe%${gcc_spec}"
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fftw_spec="fftw%${gcc_spec}"
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if (( $# != 1 )); then
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echo "usage: $(basename "$0") <env dir>" 1>&2
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@ -18,7 +24,7 @@ cd "${cwd}"
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# General configuration ########################################################
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# build with 128 tasks
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echo 'config:
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echo 'config:
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build_jobs: 128
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build_stage:
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- $spack/var/spack/stage
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@ -38,26 +44,23 @@ rm external.yaml
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# Base compilers ###############################################################
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# configure system base
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spack env create base
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spack env activate base
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spack compiler find --scope site
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# install GCC, CUDA & LLVM
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spack install ${gcc_spec} ${cuda_spec} llvm
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spack load llvm
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# install GCC, CUDA
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spack add ${gcc_spec} ${cuda_spec}
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spack concretize
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spack env depfile -o Makefile.tmp
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make -j128 -f Makefile.tmp
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spack compiler find --scope site
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spack unload llvm
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spack load ${gcc_spec}
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spack compiler find --scope site
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spack unload ${gcc_spec}
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# Manual compilation of OpenMPI & UCX ##########################################
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# set build directories
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mkdir -p "${dir}"/build
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cd "${dir}"/build
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spack load ${gcc_spec} ${cuda_spec}
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cuda_path=$(spack find --format "{prefix}" cuda)
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gdrcopy_path=/mnt/lustre/tursafs1/apps/gdrcopy/2.3.1
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@ -124,8 +127,8 @@ mkdir build_gpu; cd build_gpu
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--with-cuda="${cuda_path}" --disable-getpwuid \
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--with-verbs --with-slurm --enable-mpi-fortran=all \
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--with-pmix=internal --with-libevent=internal
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make -j 128
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make install
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make -j 128
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make install
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cd ..
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# openmpi cpu build
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@ -141,60 +144,62 @@ make -j 128
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make install
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cd "${dir}"
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ucx_spec_gpu="ucx@1.12.0.GPU%${gcc_spec}"
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ucx_spec_cpu="ucx@1.12.0.CPU%${gcc_spec}"
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openmpi_spec_gpu="openmpi@4.1.1.GPU%${gcc_spec}"
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openmpi_spec_cpu="openmpi@4.1.1.CPU%${gcc_spec}"
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# Add externals to spack
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echo "packages:
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ucx:
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externals:
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- spec: \"ucx@1.12.0.GPU%gcc@9.4.0\"
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- spec: \"${ucx_spec_gpu}\"
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prefix: ${dir}/prefix/ucx_gpu
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- spec: \"ucx@1.12.0.CPU%gcc@9.4.0\"
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- spec: \"${ucx_spec_cpu}\"
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prefix: ${dir}/prefix/ucx_cpu
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buildable: False
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openmpi:
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externals:
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- spec: \"openmpi@4.1.1.GPU%gcc@9.4.0\"
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- spec: \"${openmpi_spec_gpu}\"
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prefix: ${dir}/prefix/ompi_gpu
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- spec: \"openmpi@4.1.1.CPU%gcc@9.4.0\"
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- spec: \"${openmpi_spec_cpu}\"
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prefix: ${dir}/prefix/ompi_cpu
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buildable: False" > spack.yaml
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spack config --scope site add -f spack.yaml
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rm spack.yaml
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spack install ucx@1.12.0.GPU%gcc@9.4.0 openmpi@4.1.1.GPU%gcc@9.4.0
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spack install ucx@1.12.0.CPU%gcc@9.4.0 openmpi@4.1.1.CPU%gcc@9.4.0
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spack env deactivate
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cd "${cwd}"
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# environments #################################################################
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dev_tools=("autoconf" "automake" "libtool" "jq" "git")
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ompi_gpu_hash=$(spack find --format "{hash}" openmpi@4.1.1.GPU)
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ompi_cpu_hash=$(spack find --format "{hash}" openmpi@4.1.1.CPU)
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spack env create grid-gpu
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spack env activate grid-gpu
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spack add ${gcc_spec} ${cuda_spec} "${dev_tools[@]}"
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spack add ucx@1.12.0.GPU%gcc@9.4.0 openmpi@4.1.1.GPU%gcc@9.4.0
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spack add ${hdf5_spec}+cxx+threadsafe ^/"${ompi_gpu_hash}"
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spack add fftw ^/"${ompi_gpu_hash}"
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spack add openssl gmp mpfr c-lime
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spack install
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spack compiler find --scope site
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spack add ${gcc_spec} ${cuda_spec} ${ucx_spec_gpu} ${openmpi_spec_gpu}
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spack add ${hdf5_spec} ${fftw_spec}
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spack add openssl gmp mpfr c-lime "${dev_tools[@]}"
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spack concretize
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spack env depfile -o Makefile.tmp
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make -j128 -f Makefile.tmp
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spack env deactivate
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spack env create grid-cpu
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spack env activate grid-cpu
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spack add llvm "${dev_tools[@]}"
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spack add ucx@1.12.0.CPU%gcc@9.4.0 openmpi@4.1.1.CPU%gcc@9.4.0
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spack add ${hdf5_spec}+cxx+threadsafe ^/"${ompi_cpu_hash}"
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spack add fftw ^/"${ompi_cpu_hash}"
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spack add openssl gmp mpfr c-lime
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spack install
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spack compiler find --scope site
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spack add ${gcc_spec} ${ucx_spec_cpu} ${openmpi_spec_cpu}
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spack add ${hdf5_spec} ${fftw_spec}
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spack add openssl gmp mpfr c-lime "${dev_tools[@]}"
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spack concretize
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spack env depfile -o Makefile.tmp
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make -j128 -f Makefile.tmp
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spack env deactivate
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spack install jq git
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# Final setup ##################################################################
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spack clean
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spack gc -y
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#spack gc -y # "spack gc" tends to get hung up for unknown reasons
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# add more environment variables in module loading
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spack config --scope site add 'modules:prefix_inspections:lib:[LD_LIBRARY_PATH,LIBRARY_PATH]'
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