Re: [AMBER] error in GPU during equilibration

From: David A Case <david.case.rutgers.edu>
Date: Wed, 2 Sep 2015 12:40:14 -0600

On Wed, Sep 02, 2015, Lara rajam wrote:

> CUDA (GPU): Implementation does not support nrespa.
> Require nrespa == 1.

Just leave out any reference to nrespa in your &cntrl namelist.

...hope this works....dac


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Received on Wed Sep 02 2015 - 12:00:03 PDT
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