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Moved from PGI to HPC SDK. New NVIDIA Based-Container. #1450

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Sep 15, 2020
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Moved from PGI to HPC SDK. New NVIDIA Based-Container. #1450

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54 changes: 30 additions & 24 deletions docker/Dockerfile.nvidia
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Original file line number Diff line number Diff line change
@@ -1,38 +1,48 @@
##############################################################
# README with base system requirements
# https://ngc.nvidia.com/catalog/containers/hpc:pgi-compilers
# This Dockerfile contains the additional NVIDIA compilers,
# libraries, and plugins to enable OpenACC and NVIDIA GPU
# acceleration of Devito codes.
#
# BUILD: docker build --file docker/Dockerfile.nvidia --tag devito:nvidia.pgi .
# RUN: docker run --runtime=nvidia --gpus all --rm -it -p 8888:8888 -p 8787:8787 -p 8786:8786 devito:nvidia.pgi
# BUILD: docker build --file docker/Dockerfile.nvidia --tag devito:nvidia .
# RUN: docker run --runtime=nvidia --gpus all --rm -it -p 8888:8888 -p 8787:8787 -p 8786:8786 devito:nvidia
##############################################################
FROM nvcr.io/hpc/pgi-compilers:ce
FROM python:3.8

ENV DEBIAN_FRONTEND noninteractive

# The NGC PGI container has the C, C++, and MPI set to compile using the PGI compilers and libraries. The
# libraries and tools needed during the install of Devito require the gcc libraries, compilers, and tools.
# Setting the environment for gcc here at the top of the dockerfile and resets the environment to
# PGI at the end of the dockerfile.
ENV CC="/usr/bin/gcc"
ENV CXX="/usr/bin/g++"
RUN mv '/opt/pgi/linux86-64/19.10/mpi/openmpi-3.1.3/bin/mpicc' '/opt/pgi/linux86-64/19.10/mpi/openmpi-3.1.3/bin/mpicc.devito'

# nodesource: nvdashboard requires nodejs>=10
RUN apt-get update -y && \
apt-get install -y -q \
apt-utils \
curl \
mpich libmpich-dev && \
mpich libmpich-dev && \
curl -sL https://deb.nodesource.com/setup_12.x | bash - && \
apt-get install -y -q \
nvidia-cuda-toolkit \
python3.6 \
python3-pip python3-setuptools python3-dev python3-multidict python3-venv \
nodejs \
texlive-latex-extra texlive-fonts-recommended dvipng cm-super && \
wget -q -P /app/\
https://developer.download.nvidia.com/hpc-sdk/nvhpc-20-7_20.7_amd64.deb \
https://developer.download.nvidia.com/hpc-sdk/nvhpc-2020_20.7_amd64.deb && \
apt-get install -y -q \
/app/nvhpc-20-7_20.7_amd64.deb \
/app/nvhpc-2020_20.7_amd64.deb && \
apt-get update -y && \
rm -rf /app/nvhpc* && \
rm -rf /var/lib/apt/lists/*

# nvidia-container-runtime
ENV NVIDIA_VISIBLE_DEVICES all
ENV NVIDIA_DRIVER_CAPABILITIES compute,utility

# required for nvidia-docker v1
RUN echo "/opt/nvidia/hpc_sdk/Linux_x86_64/2020/cuda/lib" >> /etc/ld.so.conf.d/nvidia.conf && \
echo "/opt/nvidia/hpc_sdk/Linux_x86_64/2020/cuda/lib64" >> /etc/ld.so.conf.d/nvidia.conf && \
echo "/opt/nvidia/hpc_sdk/Linux_x86_64/20.7/compilers/lib" >> /etc/ld.so.conf.d/nvidia.conf

# Compiler, CUDA, and Library paths
ENV CUDA_ROOT /opt/nvidia/hpc_sdk/Linux_x86_64/2020/cuda
ENV PATH /opt/nvidia/hpc_sdk/Linux_x86_64/20.7/compilers/bin:/opt/nvidia/hpc_sdk/Linux_x86_64/2020/cuda/bin:${PATH}
ENV LD_LIBRARY_PATH /opt/nvidia/hpc_sdk/Linux_x86_64/2020/cuda/lib:/opt/nvidia/hpc_sdk/Linux_x86_64/2020/cuda/lib64:/opt/nvidia/hpc_sdk/Linux_x86_64/20.7/compilers/lib:/opt/nvidia/hpc_sdk/Linux_x86_64/20.7/math_libs/11.0/lib64:${LD_LIBRARY_PATH}

ADD ./requirements.txt /app/requirements.txt
ADD ./requirements-optional.txt /app/requirements-optional.txt
Expand All @@ -43,8 +53,9 @@ RUN python3 -m venv /venv && \
/venv/bin/pip install --no-cache-dir wheel && \
/venv/bin/pip install --no-cache-dir -r /app/requirements.txt && \
/venv/bin/pip install --no-cache-dir -r /app/requirements-optional.txt && \
/venv/bin/pip install --no-cache-dir -r /app/requirements-nvidia.txt

/venv/bin/pip install --no-cache-dir -r /app/requirements-nvidia.txt && \
rm -rf ~/.cache/pip

ADD ./devito /app/devito
ADD ./tests /app/tests
ADD ./scripts /app/scripts
Expand Down Expand Up @@ -77,11 +88,6 @@ ENV DEVITO_PLATFORM=nvidiaX
ENV DEVITO_LOGGING=DEBUG
ENV PGI_ACC_TIME=1

# Resetting the environment to PGI after finishing the install of the requirements for Devito and tools.
ENV CC="/opt/pgi/linux86-64-llvm/19.10/bin/pgcc"
ENV CXX="/opt/pgi/linux86-64-llvm/19.10/bin/pgc++"
RUN mv '/opt/pgi/linux86-64/19.10/mpi/openmpi-3.1.3/bin/mpicc.devito' '/opt/pgi/linux86-64/19.10/mpi/openmpi-3.1.3/bin/mpicc'

WORKDIR /app
EXPOSE 8888
ENTRYPOINT ["/docker-entrypoint.sh"]
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
@@ -1,4 +1,4 @@
cupy>=6
cupy-cuda102
dask-cuda
jupyterlab==1.2.1
jupyterlab-nvdashboard
Expand Down