<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hello friends,<div><br></div><div>I'm writing today to see if anyone could offer further insight/commentary than the current av<font class="Apple-style-span" face="Arial">ailable documentation and comments from the program itself concerning the following problem.</font></div><div><br></div><div>I am currently using mdrun-gpu, v 4.5.3, utilizing my GPU, an NVIDIA GeForce GT 330M. When I run the program, my desktop freezes, though I am able to move my cursor about. I can hear the fan growing louder and the computer heating up, as it always does when I use the CPU mdrun. </div><div><br></div><div>Browsing the available documentation, I recognize that my particular GPU is not listed as one of the tested. However, from reading further, and from the error codes generated by mdrun-gpu, I am suspect that it is possible to use a GPU not listed in the manual, so long as the other requirements (such as the use of the OpenMM library) are met.</div><div><br></div><div>Could anyone who is using the GPU version perhaps offer some insight into what is occurring and any potential fixes that may be successful? I would be most appreciative? Also, if I haven't provided enough information, I'm more than happy to answer any questions quickly and succinctly to do so!</div><div><br></div><div>Many thanks for any help anyone can provide!</div><div><br></div><div>Best,</div><div><br></div><div>Solomon Berman</div><div>Department of Chemistry</div><div>Boston University</div></body></html>