Re: [AMBER] help: what cause Sandar crash

From: David A Case <>
Date: Thu, 5 May 2016 10:01:06 -0400

On Thu, May 05, 2016, Yang, Hui wrote:
> I will be very appreciated if you can help to understand the error
> messages.
> ./ line 3: 14789 Aborted

Unfortunately, the error message you quoted has no useful information in it.

Be sure to try a short run (say nstlim=10, and set ntpr=1). Examine
the output file to see if there is any indication of what the error might be.
Do the initial energies get printed?

Beyond that, we would have to know a lot more about your system, how you
prepared it, what type of run you are doing, and so on. Consider posting the
complete mdin file in addition to other background information.


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Received on Thu May 05 2016 - 07:30:03 PDT
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