CUDA 11.3.1 + OpenMPI 5.0.5 installed in Ubuntu 20.04 for multi-GPU accelaration
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Built from nvidia/cuda:11.2.2-devel-ubuntu20.04 via following:
$ nvidia-docker run -v "/**HOME_DIRECTORY**:/mnt" -v "/etc/localtime:/etc/localtime:ro" -e TZ=Asia/Seoul -v "/tmp/.X11-unix:/tmp/.X11-unix" -e QT_X11_NO_MITSHM=1 --env="DISPLAY" --net=host --gpus all --privileged -itd --name GROMACS nvidia/cuda:11.3.1-devel-ubuntu20.04 /bin/bash
$ docker exec -it GROMACS /bin/bash
: apt-get update
: apt-get upgrade
: apt-get install tzdata sudo vim openssh-client libopenblas64-openmp-dev libxinerama-dev python3-dev x11-utils libhwloc-dev cmake gfortran
Then openmpi-5.0.5 tar ball was downloaded and moved to /opt/
: tar xfz openmpi-5.0.5.tar.gz
: cd openmpi-5.0.5
: ./configure --prefix=/usr/local --with-cuda CC=gcc CXX=g++ FC=gfortran
: make all install
Content type
Image
Digest
sha256:e0c3a5e25…
Size
2.6 GB
Last updated
about 2 years ago
docker pull kimjoochan/cuda-openmpi:11.3.1-5.0.5