Dear Amber users,
Just recently we obtained Amber16 by courtesy od Davide.
However, when we installed Ambertools16 and made a test by command “make test” serial ambertools reported 6 failed file comparisons. I attached them here. Among them the leap test in case of “amber16/AmberTools/test/leap/4PY5 “ produce concerning difference (see attached difff file) in MPHIA and NPHIA number of dihedrals. CUDA test went smoothly without failed jobs.
May be I am wrong with this but wish to ask for advice.
All the best
Zoran
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Received on Sat Jun 04 2016 - 14:30:02 PDT
