diff --git a/.gitignore b/.gitignore index 9f864af..da48883 100644 --- a/.gitignore +++ b/.gitignore @@ -104,7 +104,6 @@ celerybeat.pid # Environments .env .venv -env/ venv/ ENV/ env.bak/ diff --git a/README.md b/README.md index d85550b..9a16e9c 100644 --- a/README.md +++ b/README.md @@ -95,6 +95,13 @@ From the `scalable-bo/build` folder, execute the following commands: ```console ../install/thetagpu.sh ``` +### For Summit (OLCF) + +From the `scalable-bo/build` folder, execute the following commands: + +```console +../install/summit.sh +``` ## Organization of the repository @@ -209,3 +216,9 @@ cd experiments/theta/jobs/ cd experiments/thetagpu/jobs/ ``` + +### For Summit (OLCF) + +```console +cd experiments/summit/jobs/ +``` diff --git a/experiments/summit/jobs/minimalistic-frnn-test.sh b/experiments/summit/jobs/minimalistic-frnn-test.sh new file mode 100755 index 0000000..b3c8945 --- /dev/null +++ b/experiments/summit/jobs/minimalistic-frnn-test.sh @@ -0,0 +1,22 @@ +#!/bin/bash +#BSUB -nnodes 1 +#BSUB -W 2:00 +#BSUB -q debug +#BSUB -P fus145 + +# https://docs.olcf.ornl.gov/systems/summit_user_guide.html#common-bsub-options + +source ../../../build/activate-dhenv.sh + +export RANKS_PER_NODE=1 +export NUM_NODES=1 +export PYTHONPATH=../../../build/dhenv/lib/python3.8/site-packages/:$PYTHONPATH + +which python +echo $PATH + +echo "Running: jsrun -E LD_LIBRARY_PATH -E PYTHONPATH -E PATH -n $(( $NUM_NODES * $RANKS_PER_NODE )) python -m scalbo.benchmark.minimalistic_frnn" +jsrun -E LD_LIBRARY_PATH -E PYTHONPATH -E PATH -n $(( $NUM_NODES * $RANKS_PER_NODE )) -r1 -g6 -a1 -c42 -bpacked:42 which python +jsrun -E LD_LIBRARY_PATH -E PYTHONPATH -E PATH -n $(( $NUM_NODES * $RANKS_PER_NODE )) -r1 -g6 -a1 -c42 -bpacked:42 printenv +jsrun -E LD_LIBRARY_PATH -E PYTHONPATH -E PATH -n $(( $NUM_NODES * $RANKS_PER_NODE )) -r1 -g6 -a1 -c42 -bpacked:42 python -c "import scalbo; print(scalbo.__path__)" +jsrun -E LD_LIBRARY_PATH -E PYTHONPATH -E PATH -n $(( $NUM_NODES * $RANKS_PER_NODE )) -r1 -g6 -a1 -c42 -bpacked:42 python -m scalbo.benchmark.minimalistic_frnn diff --git a/install/env/summit.sh b/install/env/summit.sh new file mode 100755 index 0000000..b1781d0 --- /dev/null +++ b/install/env/summit.sh @@ -0,0 +1,7 @@ +#!/bin/bash + +. /etc/profile + +module load gcc +module load cmake +module load open-ce/1.5.2-py38-0 diff --git a/install/summit.sh b/install/summit.sh new file mode 100755 index 0000000..b74c7c8 --- /dev/null +++ b/install/summit.sh @@ -0,0 +1,46 @@ +#!/bin/bash + +. /etc/profile + +set -e + +module load cmake +module load open-ce/1.5.0-py38-0 +#module load open-ce + +conda create -p dhenv --clone open-ce-1.5.0-py38-0 -y +#conda create -p dhenv --clone open-ce-1.5.2-py39-0 -y +conda activate dhenv/ + +# Clone DeepHyper (develop) +git clone -b develop https://github.com/deephyper/deephyper.git + +# Clone DeepHyper/Scikit-Optimize (master) +git clone https://github.com/deephyper/scikit-optimize.git + +# Clone Plasma Fork (tf2) +git clone -b tf2 https://github.com/deephyper/plasma-python.git + +# Install DeepHyper +pip install -e deephyper/ +pip install -e scikit-optimize/ +pip install -e plasma-python/ + +# Install Scalable-BO +pip install -e ../src/scalbo/ + +# Install mpi4py +git clone https://github.com/mpi4py/mpi4py.git +cd mpi4py/ + +module load gcc + +MPICC=mpicc python setup.py install +cd .. + +# Install rdkit +####pip install rdkit-pypi + +# Copy activation of environment file +cp ../install/env/summit.sh activate-dhenv.sh +echo "conda activate $PWD/dhenv/" >> activate-dhenv.sh