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Add OMPGPU support (sync only for now) #176

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Add OMPGPU support (sync only for now)

Add OMPGPU support (sync only for now) #176

Workflow file for this run

.github/workflows/main.yml at 4af3b06
name: unifrac-binaries CI
on:
push:
branches: [ main ]
pull_request:
branches: [ main ]
# A workflow run is made up of one or more jobs that can run sequentially or in parallel
jobs:
build-and-test:
strategy:
matrix:
os: [ubuntu-latest, macos-latest, linux-gpu-cuda]
offload: [acc, ompgpu]
runs-on: ${{ matrix.os }}
steps:
- uses: actions/checkout@v3
- uses: conda-incubator/setup-miniconda@v2
with:
miniconda-version: "latest"
auto-update-conda: true
- name: Install
shell: bash -l {0}
run: |
df -h .
if [[ "$(uname -s)" == "Linux" ]];
then
conda create -q --yes --strict-channel-priority -n unifrac -c conda-forge -c bioconda gxx_linux-64 gfortran_linux-64 hdf5 mkl-include lz4 zlib hdf5-static libcblas liblapacke make curl
else
conda create -q --yes --strict-channel-priority -n unifrac -c conda-forge -c bioconda clangxx_osx-64 hdf5 mkl-include lz4 hdf5-static libcblas liblapacke make curl
fi
conda clean --yes -t
df -h .
conda activate unifrac
echo "$(uname -s)"
if [[ "$(uname -s)" == "Linux" ]];
then
which x86_64-conda-linux-gnu-gcc
x86_64-conda-linux-gnu-gcc -v
x86_64-conda-linux-gnu-g++ -v
else
which clang
clang -v
fi
which h5c++
if [[ "$(uname -s)" == "Linux" ]];
then
# install PGI but do not source it
# the makefile will do it automatically
./scripts/install_hpc_sdk.sh </dev/null
fi
df -h .
export PERFORMING_CONDA_BUILD=True
export BUILD_OFFLOAD=${{ matrix.offload }}
echo "======= begin env ====="
env
echo "======= end env ====="
# all == build (shlib,bins,tests) and install
if [ -f setup_nv_h5.sh ]; then
ls -l setup_nv_h5.sh
echo "=== setup_nv_h5.sh ==="
cat setup_nv_h5.sh
echo "=-= setup_nv_h5.sh =-="
else
echo "No file named setup_nv_h5.sh"
fi
make all
df -h .
pushd src
if [[ "$(uname -s)" == "Linux" ]];
then
make clean
rm -f ~/.R/Makevars
conda install -q --yes --strict-channel-priority -c conda-forge r-base
unset CXXFLAGS
unset CFLAGS
unset DEBUG_CXXFLAGS
unset DEBUG_CFLAGS
# the r-base package has a broken dependency
ln -s $CONDA_PREFIX/lib/libreadline.so $CONDA_PREFIX/lib/libreadline.so.6
R -e 'install.packages("Rcpp", repos="http://lib.stat.cmu.edu/R/CRAN/")'
make rapi_test
fi
popd
- name: Tests
shell: bash -l {0}
run: |
conda activate unifrac
# keep it low for runs in containers
# and a weird number to potentially catch potential bugs
export OMP_NUM_THREADS=3
# diagnostic messages for debugging, if needed
export UNIFRAC_GPU_INFO=Y
pushd src
./test_su
./test_api
./test_ska
popd
pushd test
./capi_test 1
# explicitly check that we do not have hdf5 dependencies
if [[ "$(uname -s)" == "Linux" ]];
then
ldd ./capi_test |awk 'BEGIN{a=0}/hdf/{a=a+1;print $0}END{if (a==0) {print "No dynamic hdf5 found"} else {exit 2}}'
else
otool -L ./capi_test|awk 'BEGIN{a=0}/hdf/{a=a+1;print $0}END{if (a==0) {print "No dynamic hdf5 found"} else {exit 2}}'
fi
popd
pushd src/testdata
conda install --yes -c conda-forge h5py
# weighted_unnormalized
time ssu -m weighted_unnormalized_fp32 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 -o t1.h5
./compare_unifrac_matrix.py test500.weighted_unnormalized_fp32.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.weighted_unnormalized_fp32.h5 t1.h5 3 0.1
rm -f t1.h5
# retry with default precision handling
time ssu -m weighted_unnormalized -i test500.biom -t test500.tre --pcoa 4 -r hdf5 -o t1.h5
./compare_unifrac_matrix.py test500.weighted_unnormalized_fp32.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.weighted_unnormalized_fp32.h5 t1.h5 3 0.1
rm -f t1.h5
time ssu -f -m weighted_unnormalized_fp32 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 -o t1.h5
# matrrix will be different, but PCOA similar
./compare_unifrac_pcoa.py test500.weighted_unnormalized_fp32.h5 t1.h5 3 0.1
rm -f t1.h5
time ssu -m weighted_unnormalized_fp64 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp64 -o t1.h5
# minimal precision loss between fp32 and fp64
./compare_unifrac_matrix.py test500.weighted_unnormalized_fp32.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.weighted_unnormalized_fp32.h5 t1.h5 3 0.1
rm -f t1.h5
# weighted_normalized
time ssu -f -m weighted_normalized -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 -o t1.h5
./compare_unifrac_matrix.py test500.weighted_normalized_fp32.f.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.weighted_normalized_fp32.f.h5 t1.h5 3 0.1
rm -f t1.h5
time ssu -f -m weighted_normalized_fp64 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp64 -o t1.h5
./compare_unifrac_matrix.py test500.weighted_normalized_fp32.f.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.weighted_normalized_fp32.f.h5 t1.h5 3 0.1
rm -f t1.h5
# unweighted
time ssu -f -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 -o t1.h5
./compare_unifrac_matrix.py test500.unweighted_fp32.f.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
rm -f t1.h5
time ssu -f -m unweighted_fp64 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp64 -o t1.h5
./compare_unifrac_matrix.py test500.unweighted_fp32.f.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
ls -l t1.h5
rm -f t1.h5
# hdf5 without distance matrix, just PCoA
echo "hdf5_nodist"
time ssu -f -m unweighted_fp64 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_nodist -o t1.h5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
ls -l t1.h5
rm -f t1.h5
time ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_nodist -o t1.h5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
ls -l t1.h5
rm -f t1.h5
# permanova
echo "permanova"
time ssu -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5 --permanova 999 -g test500.tsv -c empo_2 -o t1.h5
# compare to values given by skbio.stats.distance.permanova
python compare_unifrac_stats.py t1.h5 5 999 1.001112 0.456 0.001 0.1
ls -l t1.h5
rm -f t1.h5
time ssu -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5 --permanova 99 -g test500.tsv -c empo_2 -o t1.h5
python compare_unifrac_stats.py t1.h5 5 99 1.001112 0.456 0.001 0.2
ls -l t1.h5
rm -f t1.h5
time ssu -m weighted_unnormalized_fp32 -i test500.biom -t test500.tre --pcoa 4 -r hdf5_nodist -g test500.tsv -c empo_3 -o t1.h5
# compare to values given by skbio.stats.distance.permanova
python compare_unifrac_stats.py t1.h5 17 999 0.890697 0.865 0.001 0.1
ls -l t1.h5
rm -f t1.h5
# partials
echo "partials"
ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --mode partial-report --n-partials 2
time ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --mode partial --start 0 --stop 125 -o t1.partial.1
time ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --mode partial --start 125 --stop 250 -o t1.partial.2
ls -l t1.partial*
ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --mode check-partial --partial-pattern 't1.partial.*'
time ssu -f -m unweighted_fp64 -i test500.biom -t test500.tre --pcoa 4 --mode merge-partial --partial-pattern 't1.partial.*' -r hdf5_fp64 -o t1.h5
./compare_unifrac_matrix.py test500.unweighted_fp32.f.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
ls -l t1.h5
rm -f t1.h5
time ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --pcoa 4 --mode merge-partial --partial-pattern 't1.partial.*' -r hdf5_fp32 -o t1.h5
./compare_unifrac_matrix.py test500.unweighted_fp32.f.h5 t1.h5 1.e-5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
ls -l t1.h5
rm -f t1.h5
time ssu -f -m unweighted_fp32 -i test500.biom -t test500.tre --pcoa 4 --mode merge-partial --partial-pattern 't1.partial.*' -r hdf5_nodist -o t1.h5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.1
ls -l t1.h5
rm -f t1.h5
rm -f t1.partial.*
# subsample
echo "subsample"
time ssu -f -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 --subsample-depth 100 -o t1.h5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.3
rm -f t1.h5
time ssu -f -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 --subsample-depth 100 --subsample-replacement with -o t1.h5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.3
rm -f t1.h5
time ssu -f -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5_fp32 --subsample-depth 100 --subsample-replacement without -o t1.h5
./compare_unifrac_pcoa.py test500.unweighted_fp32.f.h5 t1.h5 3 0.3
rm -f t1.h5
time ssu -m unweighted -i test500.biom -t test500.tre --pcoa 4 -r hdf5_nodist --permanova 99 -g test500.tsv -c empo_2 --subsample-depth 100 -o t1.h5
python compare_unifrac_stats.py t1.h5 5 99 1.001112 0.456 0.05 0.6
ls -l t1.h5
rm -f t1.h5
# multi
echo "multi"
time ssu -f -m unweighted -i test500.biom -t test500.tre --pcoa 4 --mode multi --subsample-depth 100 --n-subsamples 10 -o t1.h5
./compare_unifrac_pcoa_multi.py test500.unweighted_fp32.f.h5 t1.h5 10 3 0.3
ls -l t1.h5
rm -f t1.h5
time ssu -m unweighted -i test500.biom -t test500.tre --pcoa 4 --mode multi --n-subsamples 10 --permanova 99 -g test500.tsv -c empo_2 --subsample-depth 100 -o t1.h5
python compare_unifrac_stats_multi.py t1.h5 10 5 99 1.001112 0.456 0.08 0.6
ls -l t1.h5
rm -f t1.h5
time ssu -m unweighted -i test500.biom -t test500.tre --pcoa 4 --mode multi --n-subsamples 10 --permanova 99 -g test500.tsv -c empo_2 --subsample-depth 100 --subsample-replacement without -o t1.h5
python compare_unifrac_stats_multi.py t1.h5 10 5 99 1.001112 0.456 0.08 0.6
ls -l t1.h5
rm -f t1.h5
popd
- name: Sanity checks
shell: bash -l {0}
run: |
conda activate unifrac
pushd ci
./crawford_test.sh
popd