[gmx-users] BornSum: cudaMalloc in CUDAStream::Allocate failed out of memory

Szilárd Páll szilard.pall at cbr.su.se
Tue Feb 28 22:48:54 CET 2012

HI Adam,

> I'm trying to run a mdrun-gpu simulation on a 64-bit Ubuntu system.
> I'm using a 15GB GTX 580 NVIDIA GPU card with all the appropriate drivers
> and cuda toolkit.
> However, when I run the command:
> mdrun-gpu -s inpufile.tpr -c inputfile.gro -x outputfile.xtc -g
> outputfile.log -nice - 0
> I get the following error message:
> BornSum: cudaMalloc in CUDAStream::Allocate failed out of memory
> What is the problem? Is my 15GB GPU card insufficient for my 138596 atom
> system?

Note that the 580 has 1.5 Gb, not 15! As the message says, most
probably you're running out of memory.

If you want to confirm this you could:
- Use the "nvidia-smi" tool (installed with the driver) which can
monitor GPUs and luckily the memory usage has not been disabled (yet)
by NVIDIA on consumer cards.
- Try a gradually smaller sytems, my wild guess is that the limit
should be somewhere around 120k.


> Appreciate any help,
> Adam
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