Update GPU and NVIDIA container definitions
This commit is contained in:
Richard Berger
@ -2,20 +2,33 @@ BootStrap: docker
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From: ubuntu:18.04
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%environment
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export PATH=/usr/lib/ccache:/usr/local/cuda-11.4/bin:${PATH}:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
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export CUDADIR=/usr/local/cuda-11.4
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export CUDA_PATH=/usr/local/cuda-11.4
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda-11.4/lib64:/opt/rocm/lib:/opt/rocm-4.3.0/llvm/lib
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export LIBRARY_PATH=/usr/local/cuda-11.4/lib64/stubs
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export PATH=/usr/lib/ccache:/usr/local/cuda-11.5/bin:${PATH}:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
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export CUDADIR=/usr/local/cuda-11.5
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export CUDA_PATH=/usr/local/cuda-11.5
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda-11.5/lib64:/opt/rocm/lib:/opt/rocm-4.5.0/llvm/lib
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export LIBRARY_PATH=/usr/local/cuda-11.5/lib64/stubs
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%post
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export DEBIAN_FRONTEND=noninteractive
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apt-get update
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apt-get upgrade --no-install-recommends -y
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apt-get install -y --no-install-recommends curl libnuma-dev gnupg
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apt-get install -y --no-install-recommends curl wget libnuma-dev gnupg ca-certificates
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apt-get install --no-install-recommends -y software-properties-common
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curl -sL http://repo.radeon.com/rocm/apt/debian/rocm.gpg.key | apt-key add -
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printf "deb [arch=amd64] http://repo.radeon.com/rocm/apt/debian/ xenial main" > /etc/apt/sources.list.d/rocm.list
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###########################################################################
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# Latest CMake
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###########################################################################
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wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null
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apt-add-repository 'deb https://apt.kitware.com/ubuntu/ bionic main'
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apt update
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apt install -y cmake
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###########################################################################
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# ROCm 4.5
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###########################################################################
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wget https://repo.radeon.com/amdgpu-install/21.40/ubuntu/focal/amdgpu-install-21.40.40500-1_all.deb
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apt-get install -y ./amdgpu-install-21.40.40500-1_all.deb
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apt-get update
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apt-get install --no-install-recommends -y \
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@ -23,11 +36,18 @@ From: ubuntu:18.04
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file \
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sudo \
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libelf1 \
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rocm-dev \
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rocm-libs \
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build-essential
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apt-get install --no-install-recommends -y software-properties-common
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amdgpu-install --usecase=rocm --no-dkms -y
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###########################################################################
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# ROCm hipCUB
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###########################################################################
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apt-get install -y hipcub-dev
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###########################################################################
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# Common Software
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###########################################################################
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add-apt-repository ppa:openkim/latest
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apt-get update
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apt-get install --no-install-recommends -y \
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@ -104,7 +124,7 @@ From: ubuntu:18.04
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add-apt-repository "deb http://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/ /"
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apt-get update
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export CUDA_PKG_VERSION=11.4
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export CUDA_PKG_VERSION=11.5
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apt-get install -y --no-install-recommends \
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cuda-libraries-${CUDA_PKG_VERSION} \
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@ -125,19 +145,6 @@ From: ubuntu:18.04
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mkdir -p /etc/OpenCL/vendors
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echo "libnvidia-opencl.so.1" > /etc/OpenCL/vendors/nvidia.icd
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###########################################################################
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# ROCm hipCUB
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###########################################################################
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export PATH=$PATH:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
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git clone -b release/rocm-rel-4.3 https://github.com/ROCmSoftwarePlatform/hipCUB.git
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mkdir hipCUB/build
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cd hipCUB/build
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CXX=hipcc cmake -D BUILD_TEST=off ..
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make
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make package
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make install
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###########################################################################
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# KIM-API
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@ -1,5 +1,5 @@
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BootStrap: docker
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From: nvidia/cuda:11.4.1-devel-ubuntu18.04
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From: nvidia/cuda:11.4.2-devel-ubuntu18.04
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%post
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export DEBIAN_FRONTEND=noninteractive
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@ -2,21 +2,23 @@ BootStrap: docker
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From: ubuntu:20.04
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%environment
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export PATH=/usr/lib/ccache:/usr/local/cuda-11.4/bin:${PATH}:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
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export CUDADIR=/usr/local/cuda-11.4
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export CUDA_PATH=/usr/local/cuda-11.4
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda-11.4/lib64:/opt/rocm/lib:/opt/rocm-4.3.0/llvm/lib
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export LIBRARY_PATH=/usr/local/cuda-11.4/lib64/stubs
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export PATH=/usr/lib/ccache:/usr/local/cuda-11.5/bin:${PATH}:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
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export CUDADIR=/usr/local/cuda-11.5
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export CUDA_PATH=/usr/local/cuda-11.5
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export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/cuda-11.5/lib64:/opt/rocm/lib:/opt/rocm-4.5.0/llvm/lib
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export LIBRARY_PATH=/usr/local/cuda-11.5/lib64/stubs
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%post
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export DEBIAN_FRONTEND=noninteractive
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apt-get update
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apt-get upgrade --no-install-recommends -y
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apt-get install -y --no-install-recommends curl libnuma-dev gnupg
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apt-get install -y --no-install-recommends curl wget libnuma-dev gnupg ca-certificates
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curl -sL http://repo.radeon.com/rocm/apt/debian/rocm.gpg.key | apt-key add -
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# AMD is using xenial folder also for focal
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printf "deb [arch=amd64] http://repo.radeon.com/rocm/apt/debian/ xenial main" > /etc/apt/sources.list.d/rocm.list
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###########################################################################
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# ROCm 4.5
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###########################################################################
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wget https://repo.radeon.com/amdgpu-install/21.40/ubuntu/focal/amdgpu-install-21.40.40500-1_all.deb
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apt-get install -y ./amdgpu-install-21.40.40500-1_all.deb
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apt-get update
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apt-get install --no-install-recommends -y \
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@ -24,10 +26,18 @@ From: ubuntu:20.04
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file \
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sudo \
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libelf1 \
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rocm-dev \
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rocm-libs \
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build-essential
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amdgpu-install --usecase=rocm --no-dkms -y
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###########################################################################
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# ROCm hipCUB
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###########################################################################
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apt-get install -y hipcub-dev
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###########################################################################
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# Common Software
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###########################################################################
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apt-get install --no-install-recommends -y software-properties-common
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add-apt-repository ppa:openkim/latest
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apt-get update
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@ -87,6 +97,7 @@ From: ubuntu:20.04
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valgrind \
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gdb \
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zstd \
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libyaml-cpp-dev \
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libkim-api-dev \
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openkim-models
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@ -101,7 +112,7 @@ From: ubuntu:20.04
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add-apt-repository "deb http://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/ /"
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apt-get update
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export CUDA_PKG_VERSION=11.4
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export CUDA_PKG_VERSION=11.5
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apt-get install -y --no-install-recommends \
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cuda-libraries-${CUDA_PKG_VERSION} \
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@ -122,19 +133,6 @@ From: ubuntu:20.04
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mkdir -p /etc/OpenCL/vendors
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echo "libnvidia-opencl.so.1" > /etc/OpenCL/vendors/nvidia.icd
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###########################################################################
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# ROCm hipCUB
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###########################################################################
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export PATH=$PATH:/opt/rocm/bin:/opt/rocm/profiler/bin:/opt/rocm/opencl/bin/x86_64
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git clone -b release/rocm-rel-4.3 https://github.com/ROCmSoftwarePlatform/hipCUB.git
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mkdir hipCUB/build
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cd hipCUB/build
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CXX=hipcc cmake -D BUILD_TEST=off ..
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make
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make package
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make install
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###########################################################################
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# KIM-API
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@ -1,5 +1,5 @@
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BootStrap: docker
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From: nvidia/cuda:11.4.1-devel-ubuntu20.04
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From: nvidia/cuda:11.4.2-devel-ubuntu20.04
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%post
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export DEBIAN_FRONTEND=noninteractive
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@ -34,6 +34,7 @@ From: nvidia/cuda:11.4.1-devel-ubuntu20.04
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libhwloc-dev \
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libjpeg-dev \
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liblapack-dev \
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libnetcdf-dev \
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libomp-dev \
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libopenblas-dev \
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libnuma-dev \
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@ -67,7 +68,6 @@ From: nvidia/cuda:11.4.1-devel-ubuntu20.04
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libkim-api-dev \
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openkim-models
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###########################################################################
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# NVIDIA OpenCL
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###########################################################################
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@ -75,7 +75,6 @@ From: nvidia/cuda:11.4.1-devel-ubuntu20.04
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mkdir -p /etc/OpenCL/vendors
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echo "libnvidia-opencl.so.1" > /etc/OpenCL/vendors/nvidia.icd
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###########################################################################
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# KIM-API
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###########################################################################
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@ -115,7 +114,6 @@ From: nvidia/cuda:11.4.1-devel-ubuntu20.04
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cd ../../
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rm -rvf plumed
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###########################################################################
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# Customizations
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###########################################################################
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