[gmx-users] BornSum: cudaMalloc in CUDAStream::Allocate failed out of memory
szilard.pall at cbr.su.se
Tue Feb 28 22:48:54 CET 2012
> 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
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,
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