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enhance CUDA support in CP2K easyblock (WIP) #2349

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enhance CUDA support in CP2K easyblock (WIP) #2349

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Commits on Feb 26, 2021

  1. enhance CUDA support in CP2K easyblock

    @boegel
    boegel committed Feb 26, 2021
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Commits on Mar 30, 2021

  1. Merge branch 'develop' into cp2k_cuda

    @boegel
    boegel committed Mar 30, 2021
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  2. use -arch in NVFLAGS to compile for specific CUDA compute capabilitie… 

    …s + don't set GPUVER
    @boegel
    boegel committed Mar 30, 2021
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  3. require a single CUDA compute capability when building CP2K with CUDA… 

    … support + derive value for GPUVER setting and

allow speciyfing it via custom 'gpuver' easyconfig parameter
    @boegel
    boegel committed Mar 30, 2021
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  4. wrap compiler command and flags in single quotes in NVFLAGS value

    @boegel
    boegel committed Mar 30, 2021
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