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Docker: Upgrade to nvidia/cuda:11.8.0-devel-ubuntu20.04 and disable C…
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…UDA JIT cache
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@oschuett
oschuett committed Oct 25, 2022
1 parent 1d3909a commit 331359a
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.prod_cuda_A100
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# Usage: docker build -f ./Dockerfile.prod_cuda_A100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.prod_cuda_P100
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# Usage: docker build -f ./Dockerfile.prod_cuda_P100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.prod_cuda_V100
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# Usage: docker build -f ./Dockerfile.prod_cuda_V100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.test_cuda_A100
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# Usage: docker build -f ./Dockerfile.test_cuda_A100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.test_cuda_P100
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# Usage: docker build -f ./Dockerfile.test_cuda_P100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.test_cuda_V100
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# Usage: docker build -f ./Dockerfile.test_cuda_V100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
Expand Down
6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.test_performance_cuda_A100
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# Usage: docker build -f ./Dockerfile.test_performance_cuda_A100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.test_performance_cuda_P100
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Expand Up @@ -3,12 +3,16 @@
# Usage: docker build -f ./Dockerfile.test_performance_cuda_P100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
Expand Down
6 changes: 5 additions & 1 deletion tools/docker/Dockerfile.test_performance_cuda_V100
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Expand Up @@ -3,12 +3,16 @@
# Usage: docker build -f ./Dockerfile.test_performance_cuda_V100 ../../
#

FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04

# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64

# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1

# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
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6 changes: 5 additions & 1 deletion tools/docker/generate_dockerfiles.py
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Expand Up @@ -438,12 +438,16 @@ def toolchain_intel() -> str:
# ======================================================================================
def toolchain_cuda(gpu_ver: str) -> str:
return rf"""
FROM nvidia/cuda:11.3.1-devel-ubuntu20.04
FROM nvidia/cuda:11.8.0-devel-ubuntu20.04
# Setup CUDA environment.
ENV CUDA_PATH /usr/local/cuda
ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
# Disable JIT cache as there seems to be an issue with file locking on overlayfs.
# See also https://github.com/cp2k/cp2k/pull/2337
ENV CUDA_CACHE_DISABLE 1
# Install Ubuntu packages.
RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
gfortran \
Expand Down

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