Re: [AMBER] Possible memory leak with LMOD

From: David A Case <>
Date: Thu, 31 May 2018 15:43:12 -0400

On Wed, May 23, 2018, Charo del Genio wrote:

> I'm enclosing the NAB file I'm using at the end of this message.
> However, unfortunately, I cannot provide you with the pdb file. The
> reasons are that the protein structure is not yet published, and, in
> addition, the ligand is covered by a non-disclosure agreement
> (for the moment). However, it seems like the problem happens regardless
> of the actual protein and ligand used, so it should be reproducible with
> other systems as well.

I know this may be asking a lot, but is it possible to create a system
you can share that shows the problem? Chasing down memory leaks can be a
pain, and I'm going to have to twist someone's arm to look at this.
Being able to fire up valgrind straight away would make the task much

With or without the above: can you say more about the actual symptoms?
What is the evidence that this is a memory leak? That is, what should
we be looking for? How long does it take for the run to stop working?
Any other clues you have from your end?


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Received on Thu May 31 2018 - 13:00:02 PDT
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