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Dockerfile_CUDA
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Dockerfile_CUDA
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#Dockerfile for ParFlow GPU version
### IMPORTANT NOTES FOR GPU CONTAINER USAGE ###
# Prerequisites:
# -NVIDIA drivers, GPU with CUDA compute capability >=6.0, and "nvidia-container-toolkit" package
# -The container must be created with "--gpus all" flag, ie, "docker run -it --gpus all image_hash"
#-----------------------------------------------------------------------------
# Start by building the basic CUDA container
#-----------------------------------------------------------------------------
FROM nvidia/cuda:10.2-devel-ubuntu18.04
MAINTAINER Jaro Hokkanen <j.hokkanen@fz-juelich.de>
#-----------------------------------------------------------------------------
# Set environment vars
#-----------------------------------------------------------------------------
ENV DEBIAN_FRONTEND noninteractive
ENV CMAKE_DIR /home/parflow/cmake-3.14.0-Linux-x86_64
ENV CUDA_HOME /usr/local/cuda
ENV PARFLOW_DIR /usr/local
ENV LD_LIBRARY_PATH $PARFLOW_DIR/openmpi-cuda/lib:$LD_LIBRARY_PATH
ENV PATH $CMAKE_DIR/bin:$PARFLOW_DIR/openmpi-cuda/bin:$PARFLOW_DIR/bin:$PATH
#-----------------------------------------------------------------------------
# Package dependencies
#-----------------------------------------------------------------------------
RUN apt-get update && \
apt-get install -y \
autoconf \
automake \
curl \
gcc \
g++ \
gfortran \
git \
hdf5-helpers \
libhdf5-openmpi-100 \
libhdf5-openmpi-dev \
libtool \
m4 \
make \
tcl-dev \
tk-dev \
wget && mkdir -p /home/parflow
#-----------------------------------------------------------------------------
# Install CMake
#-----------------------------------------------------------------------------
WORKDIR /home/parflow
RUN wget -nv --no-check-certificate http://cmake.org/files/v3.14/cmake-3.14.0-Linux-x86_64.tar.gz && \
tar -xvf cmake-3.14.0-Linux-x86_64.tar.gz && \
rm -fr cmake-3.14.0-Linux-x86_64.tar.gz
#-----------------------------------------------------------------------------
# Install UCX and OpenMPI
#-----------------------------------------------------------------------------
WORKDIR /home/parflow
RUN wget https://github.com/openucx/ucx/releases/download/v1.8.0-rc1/ucx-1.8.0.tar.gz && \
tar -xvf ucx-1.8.0.tar.gz && \
cd ucx-1.8.0 && \
./contrib/configure-release --prefix=$PARFLOW_DIR/ucx-cuda --with-cuda=$CUDA_HOME --with-java=no --disable-numa && \
make -j8 install && \
cd .. && \
rm -fr ucx-1.8.0 ucx-1.8.0.tar.gz
WORKDIR /home/parflow
RUN wget https://download.open-mpi.org/release/open-mpi/v4.0/openmpi-4.0.3.tar.gz && \
tar -xvf openmpi-4.0.3.tar.gz && \
cd openmpi-4.0.3 && \
./configure --prefix=$PARFLOW_DIR/openmpi-cuda --with-cuda=$CUDA_HOME --with-ucx=$PARFLOW_DIR/ucx-cuda && \
make -j8 install && \
ldconfig && \
cd .. && \
rm -fr openmpi-4.0.3 openmpi-4.0.3.tar.gz
#-----------------------------------------------------------------------------
# Build libraries
#-----------------------------------------------------------------------------
#
# SILO
#
WORKDIR /home/parflow
RUN curl "https://wci.llnl.gov/sites/wci/files/2021-01/silo-4.10.2.tgz" -o "silo-4.10.2.tar.gz" && \
tar -xf silo-4.10.2.tar.gz && \
cd silo-4.10.2 && \
./configure --prefix=$PARFLOW_DIR --disable-silex --disable-hzip --disable-fpzip && \
make install && \
cd .. && \
rm -fr silo-4.10.2 silo-4.10.2.tar.gz
#
# Hypre
#
WORKDIR /home/parflow
RUN wget -q https://github.com/hypre-space/hypre/archive/v2.18.2.tar.gz && \
tar -xvf v2.18.2.tar.gz && \
cd hypre-2.18.2/src && \
./configure --prefix=$PARFLOW_DIR && \
make install && \
cd ../.. && \
rm -fr hypre-2.18.2 v2.18.2.tar.gz
#
# RMM
#
WORKDIR /home/parflow
RUN git clone -b branch-0.10 --single-branch --recurse-submodules https://github.com/rapidsai/rmm.git && \
cd rmm && \
cmake . -DCMAKE_INSTALL_PREFIX=$PARFLOW_DIR && \
make -j && \
make install && \
cd .. && \
rm -fr rmm
#-----------------------------------------------------------------------------
# Parflow configure and build
#-----------------------------------------------------------------------------
ENV UCX_MEMTYPE_CACHE n
ENV OMPI_ALLOW_RUN_AS_ROOT 1
ENV OMPI_ALLOW_RUN_AS_ROOT_CONFIRM 1
ENV OMPI_MCA_rmaps_base_oversubscribe 1
WORKDIR /home/parflow
RUN git clone -b master --single-branch https://github.com/parflow/parflow.git parflow
RUN mkdir -p build && \
cd build && \
CC=mpicc CXX=mpicxx FC=mpif90 && \
cmake ../parflow \
-DCMAKE_C_FLAGS=-lcuda \
-DPARFLOW_AMPS_LAYER=mpi1 \
-DPARFLOW_AMPS_SEQUENTIAL_IO=TRUE \
-DHYPRE_ROOT=$PARFLOW_DIR \
-DSILO_ROOT=$PARFLOW_DIR \
-DPARFLOW_ENABLE_HDF5=TRUE \
-DPARFLOW_ENABLE_TIMING=TRUE \
-DPARFLOW_HAVE_CLM=TRUE \
-DCMAKE_INSTALL_PREFIX=$PARFLOW_DIR \
-DPARFLOW_ACCELERATOR_BACKEND=cuda \
-DRMM_ROOT=$PARFLOW_DIR && \
make install
RUN cd .. && \
rm -fr parflow build
WORKDIR /data
ENTRYPOINT ["tclsh"]