Re: [AMBER] GPU support

From: Ross Walker <>
Date: Mon, 21 Dec 2015 08:31:07 -0800

Hi Rupak,

I've never tried the 750TI with AMBER unfortunately. There is no reason why it should not work although we had issues with the 780TI that meant it was giving incorrect results and frequently crashing. The same might be true of the 750TI although I doubt it since that is not a top end card where they are trying to stretch all the memory frequencies etc to max out performance.

Note I think most of the 7XX series are end of line these days - so you might want to see if they can get you a GTX780 (not TI) cheap as that will give much better performance. Just quickly eyeballing the specs I'd expect the 750TI to be about 1/3 the performance of the GTX780 - so something in the 70-80ns/day range for the DHFR NVE 4fs HMR benchmark.

I hope that helps. I would ask the vendor for an option to return the card should it not give correct results for AMBER since they are recommending it (I can send you a validation suite to run if you want).

All the best

> On Dec 20, 2015, at 22:51, Rupak Pal <> wrote:
> Hello everyone,
> I am a student from India. We are looking for a graphics card and found
> that NVIDIA GTX 570 would be suitable for us. Its not available here any
> more and the local sellers are suggesting GTX 750 Ti ... I could not find
> any review of this one in web for AMBER 14 (we use in our lab). If anyone
> using this can suggest about its performance will be a great help for us...
> Looking forward for your suggestions and comments...
> Thanks in advance...
> Rupak
> --
> *Rupak Pal*
> Department of Biophysics, Mol. Biology & Bioinformatics
> University of Calcutta
> Kolkata, India
> _______________________________________________
> AMBER mailing list

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Received on Mon Dec 21 2015 - 09:00:04 PST
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