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

From: Stephan Schott <schottve.hhu.de>
Date: Fri, 25 Jun 2021 10:52:16 +0200

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
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
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Received on Fri Jun 25 2021 - 02:00:02 PDT
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