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add command line option #711
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@votca-bot changelog: add command line option for number of gpus |
felipeZ
reviewed
Jun 1, 2021
felipeZ
approved these changes
Jun 1, 2021
Codecov Report
@@ Coverage Diff @@
## master #711 +/- ##
========================================
- Coverage 51.3% 51.3% -0.1%
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Files 292 292
Lines 27156 27162 +6
========================================
Hits 13950 13950
- Misses 13206 13212 +6
Continue to review full report at Codecov.
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JensWehner
commented
Jun 1, 2021
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add command line option for gpus to xtp.
The implementation is not perfect, basically I use sort of a global variable, but in some sense OPENMP does the same, so maybe it is okay at least for now.