Dear Carsten, That pretty much covers all my questions and then some. Thanks for that!
Cheers, Jason ------------------------------ Hi Jason, you might want to take a look at this study: http://arxiv.org/abs/1507.00898 Best, Carsten > On 15 Jul 2015, at 06:44, Jason Loo Siau Ee <jasonsiauee....@taylors.edu.my> > wrote: > > Dear Gromacs users, > > I'm thinking about purchasing a GPU workstation for some simulation work, and > was wondering about the optimal CPU-GPU combination for running MD as I'm > pretty clueless about the hardware side of things. > > Typical systems simulated would be membrane protein systems of around 100k > atoms, with PME electrostatics. > > Assuming I have a budget of approximately 7000USD for the machine, what sort > of CPU-GPU combination would you recommend? If I went with something like 2x > Intel(r) Xeon(r) Processor E5-2695 v2, 12 cores + 2x GTX980s, how many ns/day > can I reasonably expect? Has anyone had experience with similar systems? > > Thanks in advance for the info. > > Cheers, > Jason > Confidentiality Disclaimer: This e-mail and any attachments are confidential and intended solely for the intended addressee and may also be privileged or exempt from disclosure under applicable law. If you are not the intended addressee, or have received this e-mail in error, please notify the sender immediately, delete it from your system and do not copy, disclose, distribute or otherwise act in reliance upon any part of this e-mail or its attachments. Taylor's Education Group does not accept responsibility for any loss arising from unauthorized access to, or interference with, any internet communications by any third party in reliance to this email, or from the transmission of any viruses. Please note that any views or opinions presented in this email are solely those of the author and do not necessarily represent those of Taylor's Education Group. Replies to this e-mail may be monitored by Taylor's Education Group for operational or business reasons. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
