AMBER Archive (2008)

Subject: Re: AMBER: Segmentation faults trying to run sander mpi

From: David A. Case (case_at_scripps.edu)
Date: Thu May 29 2008 - 10:20:08 CDT

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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