Re: [AMBER] Problem (perhaps) with new precision model

From: Scott Le Grand <varelse2005.gmail.com>
Date: Tue, 11 Sep 2012 16:47:43 -0700

Could you send me the input files?

On Tue, Sep 11, 2012 at 4:23 PM, Fabrício Bracht <bracht.iq.ufrj.br> wrote:

> Hello. I am running MD calculations under SPFP using the latest
> patches on Amber12 with pmemd.cuda. I have divided my 100 ns
> simulation into 10 parts and some of the simulations end with an
> error:
>
> cudaMemcpy GpuBuffer::Download failed unspecified launch failure
>
> I am using a GTX580 to do this. This sort of problem never happened
> before. My system is comprised of a zinc bound protein. The parameters
> I obtained from the MTK++ routine. Should I go back to using SPDP?
> Thank you
> Fabrício Bracht
>
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Received on Tue Sep 11 2012 - 17:00:03 PDT
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