Re: [AMBER] MMPBSA jobs on a cluster Calcerror:

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 6 Mar 2013 18:16:59 -0500

On Wed, Mar 6, 2013 at 5:26 PM, Vivek Shankar Bharadwaj <
vbharadw.mymail.mines.edu> wrote:

> Hi Jason,
>
> I checked, they only have GB in the remark section. The flags are all for
> the PBSA calculations.
>
> Yes, the jobs get accepted by the queue. Are you referring to the tests
> performed during amber12 compilation? I preformed those on the head node
> itself.
>

The head node and working nodes may behave differently, especially in
parallel.

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Mar 06 2013 - 15:30:04 PST
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