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. Cheers, -- Szilárd > Appreciate any help, > Adam > > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
