Re: [AMBER-Developers] cudaMalloc GpuBuffer::Allocate failed out of memory

From: Scott Le Grand <varelse2005.gmail.com>
Date: Fri, 25 Jun 2021 06:22:12 -0700

How many atoms? How much memory on the V100? Is it virtualized?

On Fri, Jun 25, 2021 at 1:53 AM Stephan Schott <schottve.hhu.de> wrote:

> Hi everyone,
> I am playing around with a SIRAH system and just stumbled upon this message
> consistently whenever I use the default skinnb value of 2, but it runs
> without issue when it is increased to 3 for whatever reason. Just for some
> info, this is on a Tesla V100, driver 460.32.03, using Amber 21 compiled
> with CUDA 11.0 and gcc 9.3.
> My GPU architecture knowledge is very barebones, but it seems like there
> might be something odd going on, as I would expect more memory usage the
> more particles are included in skinnb, right? Has this something to do with
> the partitioning within the GPU memory? I would be grateful if someone
> could tell me if I am just missing something here.
> Best regards,
>
> --
> Stephan Schott Verdugo
> Biochemist
>
> Heinrich-Heine-Universitaet Duesseldorf
> Institut fuer Pharm. und Med. Chemie
> Universitaetsstr. 1
> 40225 Duesseldorf
> Germany
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>
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Received on Fri Jun 25 2021 - 06:30:02 PDT
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