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install: Udpate to HPCSDK 21.7, Update to Jupyter>=3.0 #1760

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Sep 23, 2021
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install: Udpate to HPCSDK 21.7, Update to Jupyter>=3.0 #1760

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a3d43e3
Udpate to HPCSDK 21.7, Update to Jupyter>=3.0
kenhester Aug 30, 2021
9389744
reqs: Drop fsspec
FabioLuporini Sep 22, 2021
c844682
Merge branch 'master' into nvidia_update_by_kenhester
FabioLuporini Sep 23, 2021
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22 changes: 10 additions & 12 deletions docker/Dockerfile.nvidia
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Original file line number Diff line number Diff line change
Expand Up @@ -40,23 +40,23 @@ RUN apt-get update -y && \
texlive-latex-extra texlive-fonts-recommended dvipng cm-super \
python-dev python3-dev python3-venv && \
wget -q -P /app/ \
https://developer.download.nvidia.com/hpc-sdk/21.5/nvhpc-21-5_21.5_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.5/nvhpc-21-5-cuda-multi_21.5_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.5/nvhpc-2021_21.5_amd64.deb && \
https://developer.download.nvidia.com/hpc-sdk/21.7/nvhpc-21-7_21.7_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.7/nvhpc-21-7-cuda-multi_21.7_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.7/nvhpc-2021_21.7_amd64.deb && \
wget -q -P /app/nvcomp_exts/ \
https://developer.download.nvidia.com/compute/nvcomp/2.0/local_installers/nvcomp_exts_x86_64_ubuntu18.04-2.0.tar.gz &&\
apt-get install -y -q \
/app/nvhpc-21-5_21.5_amd64.deb \
/app/nvhpc-21-5-cuda-multi_21.5_amd64.deb \
/app/nvhpc-2021_21.5_amd64.deb && \
/app/nvhpc-21-7_21.7_amd64.deb \
/app/nvhpc-21-7-cuda-multi_21.7_amd64.deb \
/app/nvhpc-2021_21.7_amd64.deb && \
tar -xvf /app/nvcomp_exts/nvcomp_exts_x86_64_ubuntu18.04-2.0.tar.gz -C /app/nvcomp_exts && \
apt-get update -y && \
rm -rf /app/nvhpc* && \
rm -rf /app/nvcomp_exts/nvcomp* && \
rm -rf /var/lib/apt/lists/*

ARG HPCSDK_HOME=/opt/nvidia/hpc_sdk/Linux_x86_64/2021
ARG HPCSDK_CUPTI=/opt/nvidia/hpc_sdk/Linux_x86_64/2021/cuda/11.2/extras/CUPTI
ARG HPCSDK_CUPTI=/opt/nvidia/hpc_sdk/Linux_x86_64/2021/cuda/11.4/extras/CUPTI
#MPI_VER options 3,4,HPCX
ARG MPI_VER=HPCX

Expand Down Expand Up @@ -119,7 +119,7 @@ RUN if [ "x$MPI_VER" = "x4" ]; then \
fi; \
if [ "x$MPI_VER" = "HPCX" ]; then \
rm -f $HPCSDK_HOME/comm_libs/mpi && \
ln -sf $HPCSDK_HOME/comm_libs/hpcx/hpcx-2.7.4/ompi \
ln -sf $HPCSDK_HOME/comm_libs/hpcx/hpcx-2.8.1/ompi \
$HPCSDK_HOME/comm_libs/mpi ; \
fi; \
/venv/bin/pip install --no-cache-dir -r /app/requirements-mpi.txt && \
Expand All @@ -140,10 +140,8 @@ ADD docker/entrypoint.sh /docker-entrypoint.sh
ADD docker/nvdashboard.json /app/nvdashboard.json

RUN chmod +x /print-defaults /jupyter /tests /docker-entrypoint.sh && \
/venv/bin/jupyter labextension install jupyterlab-nvdashboard && \
/venv/bin/jupyter labextension install dask-labextension && \
/venv/bin/jupyter serverextension enable dask_labextension && \
/venv/bin/jupyter lab workspaces import /app/nvdashboard.json
/venv/bin/jupyter serverextension enable dask_labextension
# /venv/bin/jupyter lab workspaces import /app/nvdashboard.json

## Environment Variables for OpenACC Builds
# Reference: https://github.com/devitocodes/devito/wiki/FAQ#can-i-manually-modify-the-c-code-generated-by-devito-and-test-these-modifications
Expand Down
26 changes: 12 additions & 14 deletions docker/Singularity.nvidia.def
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Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,7 @@ export NVIDIA_VISIBLE_DEVICES=all
export NVIDIA_DRIVER_CAPABILITIES=compute,utility

export HPCSDK_HOME=/opt/nvidia/hpc_sdk/Linux_x86_64/2021
export HPCSDK_CUPTI=/opt/nvidia/hpc_sdk/Linux_x86_64/2021/cuda/11.2/extras/CUPTI
export HPCSDK_CUPTI=/opt/nvidia/hpc_sdk/Linux_x86_64/2021/cuda/11.4/extras/CUPTI
export NVCOMP_EXTS_ROOT=/app/nvcomp_exts/ubuntu18.04/11.2
export bitcomp_DIR=$NVCOMP_EXTS_ROOT/lib/

Expand Down Expand Up @@ -64,7 +64,7 @@ export UCX_TLS=rc_x,sm,shm,cuda_copy,gdr_copy,cuda_ipc
export MELLANOX_MOUNT_DRIVER=1

## Environment Variables for OpenACC Builds
# Reference: https://github.com/devitocodes/devito/wiki/FAQ#can-i-manually-modify-the-c-code-generated-by-devito-and
# Reference: https://github.com/devitocodes/devito/wiki/FAQ #can-i-manually-modify-the-c-code-generated-by-devito-and
export DEVITO_ARCH="nvc"
export DEVITO_LANGUAGE="openacc"
export DEVITO_PLATFORM=nvidiaX
Expand Down Expand Up @@ -100,23 +100,23 @@ apt-get install -y -q \
texlive-latex-extra texlive-fonts-recommended dvipng cm-super \
python-dev python3-dev python3-venv && \
wget -q -P /app/ \
https://developer.download.nvidia.com/hpc-sdk/21.5/nvhpc-21-5_21.5_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.5/nvhpc-21-5-cuda-multi_21.5_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.5/nvhpc-2021_21.5_amd64.deb && \
https://developer.download.nvidia.com/hpc-sdk/21.7/nvhpc-21-7_21.7_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.7/nvhpc-21-7-cuda-multi_21.7_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/21.7/nvhpc-2021_21.7_amd64.deb && \
wget -q -P /app/nvcomp_exts/ \
https://developer.download.nvidia.com/compute/nvcomp/2.0/local_installers/nvcomp_exts_x86_64_ubuntu18.04-2.0.tar.gz &&\
apt-get install -y -q \
/app/nvhpc-21-5_21.5_amd64.deb \
/app/nvhpc-21-5-cuda-multi_21.5_amd64.deb \
/app/nvhpc-2021_21.5_amd64.deb && \
/app/nvhpc-21-5_21.7_amd64.deb \
/app/nvhpc-21-7-cuda-multi_21.7_amd64.deb \
/app/nvhpc-2021_21.7_amd64.deb && \
tar -xvf /app/nvcomp_exts/nvcomp_exts_x86_64_ubuntu18.04-2.0.tar.gz -C /app/nvcomp_exts && \
apt-get update -y && \
rm -rf /app/nvhpc* && \
rm -rf /app/nvcomp_exts/nvcomp* && \
rm -rf /var/lib/apt/lists/*

export HPCSDK_HOME=/opt/nvidia/hpc_sdk/Linux_x86_64/2021
export HPCSDK_CUPTI=/opt/nvidia/hpc_sdk/Linux_x86_64/2021/cuda/11.2/extras/CUPTI
export HPCSDK_CUPTI=/opt/nvidia/hpc_sdk/Linux_x86_64/2021/cuda/11.4/extras/CUPTI

# Compiler, CUDA, and Library paths
export CUDA_HOME=$HPCSDK_HOME/cuda
Expand All @@ -143,7 +143,7 @@ export CFLAGS=-noswitcherror
#ln -sf $HPCSDK_HOME/comm_libs/openmpi4/openmpi-4.0.5 $HPCSDK_HOME/comm_libs/mpi ;
#HPCX
rm -f $HPCSDK_HOME/comm_libs/mpi && \
ln -sf $HPCSDK_HOME/comm_libs/hpcx/hpcx-2.7.4/ompi $HPCSDK_HOME/comm_libs/mpi ;
ln -sf $HPCSDK_HOME/comm_libs/hpcx/hpcx-2.8.1/ompi $HPCSDK_HOME/comm_libs/mpi ;

/venv/bin/pip install --no-cache-dir -r /app/requirements-mpi.txt && \
rm -rf ~/.cache/pip
Expand All @@ -152,10 +152,8 @@ export CFLAGS=
chmod -R 755 /app
chmod 777 /app
chmod 777 /print-defaults /jupyter /tests /entrypoint.sh && \
/venv/bin/jupyter labextension install jupyterlab-nvdashboard && \
/venv/bin/jupyter labextension install dask-labextension && \
/venv/bin/jupyter serverextension enable dask_labextension && \
/venv/bin/jupyter lab workspaces import /app/nvdashboard.json
/venv/bin/jupyter serverextension enable dask_labextension
# /venv/bin/jupyter lab workspaces import /app/nvdashboard.json

%runscript
echo /jupyter "$@"
Expand Down
2 changes: 1 addition & 1 deletion requirements-nvidia.txt
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
cupy-cuda110
dask-cuda
jupyterlab==1.2.1
jupyterlab>=3
jupyterlab-nvdashboard
dask_labextension