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Describe the bug pspw_md QA fails on arm64 MacOS with gfortran-12 and clang-15
Describe settings used
Attach log files
https://github.com/nwchemgit/nwchem/actions/runs/8864563428/job/24339882135
Failure is on the last digit
2024-04-28T06:34:30.0656190Z Running tests/pspw_md/pspw_md 2024-04-28T06:34:30.0656740Z 2024-04-28T06:34:30.0656980Z cleaning scratch 2024-04-28T06:34:30.0691390Z copying input and verified output files 2024-04-28T06:34:30.0794230Z running nwchem (/Users/runner/work/nwchem/nwchem/.cachedir/binaries/MACX64/nwchem_arm64_tinyqmpw_openmpi_gfortran-12) with 2 processors 2024-04-28T06:34:30.0795920Z 2024-04-28T06:34:37.5680300Z verifying output ... failed 2024-04-28T06:34:37.5680930Z @@@ Comparison of Output Files 2024-04-28T06:34:37.5703510Z @@ -6,8 +6,8 @@ 2024-04-28T06:34:37.5704730Z Total PSPW energy : -13.74176 2024-04-28T06:34:37.5705380Z == 0.000 0.000 0.000 2024-04-28T06:34:37.5706340Z -Total PSPW energy : -14.32394 2024-04-28T06:34:37.5707680Z +Total PSPW energy : -14.32395 2024-04-28T06:34:37.5708320Z Effective nuclear repulsion energy (a.u.) 85.91 2024-04-28T06:34:37.5708940Z Total PSPW energy : -14.27678 2024-04-28T06:34:37.5709500Z Total PSPW energy : -14.33590 2024-04-28T06:34:37.5709890Z Total PSPW energy : -14.25267 2024-04-28T06:34:37.5710440Z -Total PSPW energy : -14.38970 2024-04-28T06:34:37.5710980Z +Total PSPW energy : -14.38971
The text was updated successfully, but these errors were encountered:
use CC=gcc-12 to debug nwchemgit#970
5c563be
This failure seems to occur only with gfortran-12. gfortran-11 and gfortran-13 do not seem to be affected
gfortran-12
gfortran-11
gfortran-13
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Describe the bug
pspw_md QA fails on arm64 MacOS with gfortran-12 and clang-15
Describe settings used
Attach log files
https://github.com/nwchemgit/nwchem/actions/runs/8864563428/job/24339882135
Failure is on the last digit
The text was updated successfully, but these errors were encountered: