Re: [AMBER] CUDA version for Amber14

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 10 Nov 2016 06:57:27 -0800

Hi Sofia,

No it does not. The options are 5.0, 5.5, 6.0, 6.5 or 7.5 - 7.0 is not supported due to a number of bugs and performance regressions. 5.0 will likely give you the best performance on K40. NVIDIA have steadily made performance worse with each new CUDA version so if you have things working with 5.0 stick with that. That said if you plan to run other GPU codes on your system you might want to consider just standardizing on 7.5.

All the best
Ross

> On Nov 9, 2016, at 2:17 PM, Sofia Vasilakaki <svasilak.chem.uoa.gr> wrote:
>
> Hi everyone!
>
> Just to make sure: Amber14 does NOT support CUDA 8.0. Right?
>
> What is the optimum version for K40? I used to have 5.0 but I should
> upgrade...
>
> Thank you very much!
> Sofia V.
>
>
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Received on Thu Nov 10 2016 - 07:00:02 PST
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