Hi!
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?
Appreciate any help,
Adam
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