Re: [AMBER] " possible FAILURE " messages

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 21 Jun 2017 09:42:59 -0400

Check the specified *.dif files and inspect the differences yourself.
If they are very small it is usually due to machine round-off error.
Otherwise there could be some issues with the way RISM compiled on
your system.

-Dan

On Wed, Jun 21, 2017 at 9:41 AM, NĂºbia Prates <nnubiaits.hotmail.com> wrote:
> Hello everyone,
>
>
> I am new with Amber. During the make test I was wondering why Am I getting the following error messengers, and how can I fix that:
>
> Summary of AmberTools serial tests:
>
> 1861 file comparisons passed
> 3 file comparisons failed
> 0 tests experienced errors
> Test log file saved as /home/nubia/amber16/logs/test_at_serial/2017-06-19_16-35-04.log
> Test diffs file saved as /home/nubia/amber16/logs/test_at_serial/2017-06-19_16-35-04.diff
>
> possible FAILURE: check ph10.out.rel.dif
> /home/nubia/amber16/test/rism3d/phosphate
> possible FAILURE: check ph10-nacl.out.rel.dif
> /home/nubia/amber16/test/rism3d/phosphate
> possible FAILURE: check ph20.out.rel.dif
> /home/nubia/amber16/test/rism3d/phosphate
>
> Best
> Nubia
>
>
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Jun 21 2017 - 07:00:03 PDT
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