[AMBER] test FAILURE in ired.vec.diff

From: Martin Juhás via AMBER <amber.ambermd.org>
Date: Tue, 29 Nov 2022 16:05:49 +0000

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

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Tue Nov 29 2022 - 08:30:02 PST
Custom Search