Re: [AMBER] Amber14 using triple GTX 1080

From: David A Case <david.case.rutgers.edu>
Date: Wed, 5 Oct 2016 10:18:24 -0400

On Wed, Oct 05, 2016, Yohanes Gultom wrote:
>
> I have just started using Amber14 on GPU and have managed to run some
> experiments on several GPU (GTX 780, 970, 980, Titan X). Now I'm currently
> trying to run same experiments on our new triple GTX 1080.
>
> The problem is I can't run any experiment on GTX 1080 (I can run exact same
> experiments on other machines with different GPU). I kept getting this
> error whenever I run pmemd.cuda.MPI (with any number of GPU):
>
> "cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol"
>
> Could anyone help me to understand the problem?
> Is it because GTX 1080 supported by Amber14? Because I only find mentions
> on GTX 1080 on Amber16 pages.

This is almost certainly the case: you need both cuda8.0 and Amber16 to
run on Pascal GPU's. There was no such thing as a GTX1080 back when Amber14
was released (in April, 2014).

....dac


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Received on Wed Oct 05 2016 - 07:30:02 PDT
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