Re: AMBER: Segmentation faults trying to run sander mpi

From: David A. Case <case.scripps.edu>
Date: Thu, 29 May 2008 08:20:08 -0700

On Thu, May 29, 2008, Idan Gabdank wrote:
>
> It looks like it is ok on all hosts:
>
> xeonsrv1 dhfr # ./Run.dhfr.min
> diffing mdout.dhfr.min.save with mdout.dhfr.min
> PASSED
>
> What should I check to solve the problem?

You should do what I suggested earlier:

> Of course, if the test cases pass, then you need to look for what is
> different in your input and the test case.

Since people on the list don't know what your input is/was, there is no way we
can determine the cause of the problem. Use a divide-and-conquer approach:
slowly morph the working test case into your example, and find out where it
stops working.

...dac

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Received on Sun Jun 01 2008 - 06:07:34 PDT
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