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- # To build: $ sudo docker build -t myimage:1.0 .
- # To run: $ sudo docker run --rm -it --gpus=all -p 8888:8888 myimage:1.0
- # To run Jupyter inside the container: $ jupyter notebook --ip 0.0.0.0 --port 8888 --no-browser --allow-root
- FROM nvcr.io/hpc/pgi-compilers:ce
- RUN apt-get update && \
- apt-get dist-upgrade -y && \
- apt-get install --no-install-recommends -y \
- openssh-server m4 vim-nox emacs-nox nano zip && \
- rm -rf /var/lib/apt/cache/*
- #useradd -k /etc/skel -m -s /usr/local/bin/entrypoint.sh -p openacc openacc && \
- #echo 'openacc:openacc' | chpasswd && \
- #mkdir /var/run/sshd
- RUN apt-get install --no-install-recommends -y python3 python3-pip
- RUN pip3 install --upgrade pip
- RUN apt-get install --no-install-recommends -y python3-setuptools
- RUN apt-get install --no-install-recommends -y git-core
- RUN apt-get install --no-install-recommends -y openssh-client
- RUN apt-get install --no-install-recommends -y inotify-tools
- RUN pip3 install jupyter
- RUN pip3 install netcdf4
- RUN apt-get install --no-install-recommends -y curl
- RUN curl -s https://packagecloud.io/install/repositories/github/git-lfs/script.deb.sh | bash
- RUN apt-get install --no-install-recommends -y git-lfs
- RUN git lfs install
- # NVIDIA Nsight Systems
- RUN apt-get update -y && \
- DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
- apt-transport-https \
- ca-certificates \
- gnupg \
- wget && \
- echo "deb https://developer.download.nvidia.com/devtools/repo-deb/x86_64/ /" >> /etc/apt/sources.list.d/nsight.list && \
- apt-get update -y
- RUN apt-get update -y
- # NVIDIA Nsight Systems 2020.3.1
- RUN DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends nsight-systems-2020.3.1
- #RUN apt-get update && apt-get install -y --no-install-recommends && \
- # echo "deb https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64 /" > /etc/apt/sources.list.d/cuda.list && \
- # echo "deb https://developer.download.nvidia.com/compute/machine-learning/repos/ubuntu1804/x86_64 /" > /etc/apt/sources.list.d/nvidia-ml.list
- # NVIDIA Nsight Systems 2019.3.7
- #RUN apt-get update -y && \
- # apt-get install -y cuda-nsight-systems-10-1 nsight-systems-2019.3.7
- RUN apt-get install --no-install-recommends -y build-essential
- ##### START : netcdf installation #####
- RUN cd /usr && \
- mkdir netcdf && \
- cd netcdf && \
- mkdir WORK_DIR && \
- cd /usr/netcdf/WORK_DIR && \
- mkdir zlib hdf5 netCDF netCDF-C++ netCDF-Fortran
- RUN cd /usr/netcdf/WORK_DIR/zlib && \
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-4/zlib-1.2.8.tar.gz && \
- tar -xvzf zlib-1.2.8.tar.gz
- RUN cd /usr/netcdf/WORK_DIR/hdf5 && \
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-4/hdf5-1.8.12.tar.gz && \
- tar -xvzf hdf5-1.8.12.tar.gz
- RUN cd /usr/netcdf/WORK_DIR/netCDF && \
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/old/netcdf-4.3.0.tar.gz && \
- tar -xvzf netcdf-4.3.0.tar.gz
- RUN cd /usr/netcdf/WORK_DIR/netCDF-C++ && \
- wget https://github.com/Unidata/netcdf-cxx4/archive/v4.2.1.tar.gz && \
- tar -xvzf v4.2.1.tar.gz
- RUN cd /usr/netcdf/WORK_DIR/netCDF-Fortran && \
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/old/netcdf-fortran-4.2.tar.gz && \
- tar -xvzf netcdf-fortran-4.2.tar.gz
- ENV CC=pgcc CFLAGS="-O tp=p7-64" CXX=pgc++ CXXFLAGS="-O tp=p7-64" FC=pgfortran FCFLAGS="-O tp=p7-64" F77=pgfortran FFLAGS="-O tp=p7-64" CPPFLAGS="-DpgiFortran"
- RUN mkdir -p /usr/local && \
- mkdir -p /usr/local/bin && \
- mkdir -p /usr/local/include && \
- mkdir -p /usr/local/lib
- ENV PATH="$PATH:/usr/local/bin:/opt/anaconda3/bin:/usr/bin" LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib" LIBRARY_PATH="$LIBRARY_PATH:/usr/local/lib" CPATH="$CPATH:/usr/local/include"
- # zlib
- RUN cd /usr/netcdf/WORK_DIR/zlib/zlib-1.2.8 && \
- ./configure --prefix=/usr/local && \
- make && \
- make install
- # hdf5
- RUN cd /usr/netcdf/WORK_DIR/hdf5/hdf5-1.8.12 && \
- unset CPP && \
- ./configure --prefix=/usr/local --enable-fortran --enable-c++ && \
- make && \
- make install
- # netcdf
- RUN export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib" && \
- export CFLAGS="-O tp=p7-64 -I /usr/local/include" && \
- export LDFLAGS="-L/usr/local/lib -L/usr/local/lib" && \
- cd /usr/netcdf/WORK_DIR/netCDF/netcdf-4.3.0 && \
- ./configure --prefix=/usr/local && \
- make && \
- make install
- # netcdf-c++
- RUN export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/hdf5/lib:/usr/local/lib" && \
- export CFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include" && \
- export CPPFLAGS="-DpgiFortran -I /usr/local/include -I /usr/local/include" && \
- export LDFLAGS="-L/usr/local/lib -L/usr/local/lib" && \
- cd /usr/netcdf/WORK_DIR/netCDF-C++/netcdf-cxx4-4.2.1 && \
- ./configure --prefix=/usr/local && \
- make && \
- make install
- # netcdf-fortran
- RUN export CFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include" && \
- export FCFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include" && \
- export FFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include" && \
- export CPPFLAGS="-DpgiFortran -I /usr/local/include -I /usr/local/include" && \
- unset LDFLAGS && \
- cd /usr/netcdf/WORK_DIR/netCDF-Fortran/netcdf-fortran-4.2 && \
- ./configure --prefix=/usr/local && \
- make && \
- make install
- ##### END : netcdf installation #####
- RUN wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh && \
- bash Miniconda3-latest-Linux-x86_64.sh -b -p /opt/anaconda3 && \
- rm Miniconda3-latest-Linux-x86_64.sh && \
- /opt/anaconda3/bin/conda install -y -q netcdf4
- ENV LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/opt/pgi/linux86-64-llvm/2019/cuda/10.1/lib64/"
- ADD miniapps-profiler /labs
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