Re: [AMBER] Amber 14 tests errors

From: David A Case <>
Date: Wed, 18 Mar 2015 20:41:34 -0400

On Wed, Mar 18, 2015, Gustavo Avelar Molina wrote:
> I'm a new Amber user, and I'm intending to use Antechamber to do some
> parameterizations. I've installed Amber 14 on Ubuntu recently, but I got
> errors in five tests and I don't know exactly how to solve them. Could you
> help me? Should I attach the log file to the email or paste its content
> here?

First, examine the differences file to see if the "possible failures" look
like roundoff errors or not. Also see if they involve parts of the Amber
suite that you are likely to use.

It's not unusual to have a small number of apparent errors in the
thousands of tests that are run, given the complexities of the number of
different operating systems and compilers that we try to support.

If you still are uncertain, attaching the diff file (or relevant parts of it)
is generally better than pasting its contents into the body of your email:
email clients do many nasty things to formatting that can inhibit
communication. In the body of the email, let us know what OS and compilers
you are using.


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Received on Wed Mar 18 2015 - 18:00:03 PDT
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