Re: [AMBER] help about test failures

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 21 May 2010 17:15:03 -0400

What version of AmberTools are you using?
What compiler are you using and what version?
How did you configure Amber?
Did you apply all patches? http://ambermd.org/bugfixes10.html

Also, test output such as this:

possible FAILURE: check gcg.dip.o.dif
/home/peker/amber10/test/rdc
352c352
< 196 H5'1 DA 7 0.14 0.62 0.96

---
>       196 H5'1 DA     7      0.14      0.63      0.96
377c377
<       512 H5'1 DA    17      0.13      0.62      0.98
---
>       512 H5'1 DA    17      0.13      0.63      0.98
---------------------------------------
are typically due to round-off and do not indicate problems with the code.
On Fri, May 21, 2010 at 4:32 PM, peker milas <pekermilas.gmail.com> wrote:
> Dear amber users,
>
> After amber10 and ambertools installations, i had a couple of test
> failures. Unfortunately, I m having troubles with understanding of
> their meanings. If anybody can help me, i ll be grateful.
>
> PS: my TEST_FAILURES file is in attachment...
>
> regards
> peker milas
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
-- 
-------------------------
Daniel R. Roe
Postdoctoral Associate
SAS - Chemistry & Chemical Biology
610 Taylor Road
Piscataway, NJ   08854
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Received on Fri May 21 2010 - 14:30:03 PDT