Dear AMBER developers,
I have been running tests for Amber 22 after succesfull compilation, and in
both serial and parallel tests the same test failed. Seems like the numbers
are the same but with different signs:
possible FAILURE: check ired.vec.dif
amber22/AmberTools/src/cpptraj/test/Test_IRED
43,60c43,60
< 0.11900 0.02570 -0.02587 0.09724 0.15870 0.10523
0.05125
< 0.09285 0.15586 0.10839 0.07100 0.14124 0.14555
0.05981
< 0.01376 0.14587 -0.02186 0.08313 0.16906 -0.00519
-0.01420
< -0.09414 -0.03231 -0.05297 -0.04443 0.06030 -0.03317
-0.04173
.(numbers continue)
---
> -0.11900 -0.02570 0.02587 -0.09724 -0.15870 -0.10523
-0.05125
> -0.09285 -0.15586 -0.10839 -0.07100 -0.14124 -0.14555
-0.05981
> -0.01376 -0.14587 0.02186 -0.08313 -0.16906 0.00519
0.01420
> 0.09414 0.03231 0.05297 0.04443 -0.06030 0.03317
0.04173
.
Thank you for the help.
Martin
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Received on Tue Nov 29 2022 - 08:30:02 PST