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Problem with QE GPU install script #22

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wyang0 opened this issue Feb 8, 2024 · 0 comments
Open

Problem with QE GPU install script #22

wyang0 opened this issue Feb 8, 2024 · 0 comments
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bug Something isn't working documentation Improvements or additions to documentation

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@wyang0
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wyang0 commented Feb 8, 2024

There are some issues with the current quantum_espresso/install_qe_gpu.sh script.
- cd qe-7.1-qmcpack-gpu needs to be cd qe-7.2-qmcpack
- -DQE_ENABLE_OPENACC=ON should be -DQE_ENABLE_OPENACC=ON \
- NERSC QE webpage suggests to load the PrgEnv-nvidia module but the script doesn't load it

A user reports that there is still a build problem with version 7.2 even with the corrections, and a modified script works with version 7.3 (see INC0216095). I have verified on those two points.

Please review the suggested changes and update the script.

@jscook2345 jscook2345 added bug Something isn't working documentation Improvements or additions to documentation labels Feb 9, 2024
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