<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi!</div><div><br></div><div>I'm trying to run a mdrun-gpu simulation on a 64-bit Ubuntu system. <br></div><div>I'm using a 15GB GTX 580 NVIDIA GPU card with all the appropriate drivers and cuda toolkit.</div><div>However, when I run the command:</div><div><br></div><div><span style="font-style: italic;">mdrun-gpu -s inpufile.tpr -c inputfile.gro -x outputfile.xtc -g outputfile.log -nice - 0</span></div><div><br></div><div>I get the following error message:</div><div><br></div><div style="font-weight: bold;"><span style="font-style: italic;">BornSum: cudaMalloc in CUDAStream::Allocate failed out of memory</span></div><div><br></div><div>What is the problem? Is my 15GB GPU card insufficient for my 138596 atom system?</div><div><br></div><div>Appreciate any
help,</div><div>Adam<br></div><div><br></div><div><br></div><div></div></div></body></html>