So the answer is yes, you can, but I'm not sure you should. Assuming you have a mid to high end gaming laptop - say something like a i7-8750H with a Nvidia MaxQ 1070 (i.e. a Gigabyte Aero 15x or equivalent; I'm just going with what I have), you will get decent performance (I can get circa 80 ns / day with 2018.6 and a 60k atom system & I'm sure 2019/2020 will improve this). However, this will absolutely thrash the system, and your GPU and CPU temperatures will be near the limits very quickly (mine hit 85-90 C within a couple minutes).
Prolonged usage at those temperatures will damage your laptop and your CPU will be forced to throttle (which is going to lower performance); hence why I only ever use my laptop for things like setting up simulations, analysis and testing methodologies on toy systems. For the sake of your own personal hardware, get a desktop. It'll cost a lot less, stay cooler (so will be around for longer) and will have faster components. As this paper shows; you really don't need to spend a lot at all: https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.26011 Hope that helps, Matthew ________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Billy Williams-Noonan <billy.williams-noo...@monash.edu> Sent: 05 November 2019 06:32 To: gmx-us...@gromacs.org <gmx-us...@gromacs.org> Cc: gromacs.org_gmx-users@maillist.sys.kth.se <gromacs.org_gmx-users@maillist.sys.kth.se> Subject: Re: [gmx-users] Ruuning MD simulation on laptop Commonly used gaming cards can accelerate MD simulations quote quickly, but you'd be wanting to invest about a grand on one. There would also be a problem with load imbalance then, where the CPUs are struggling to keep up with the GPUs. So you'd want to have a decent number of decent quality logical cores running alongside the GPU as well. You'd probably want to spend at least AU$2000 on the lap top. Cheers, Billy On Tue., 5 Nov. 2019, 5:22 pm Swapnil Bhujbal, <swapnilbhujba...@gmail.com> wrote: > Dear users, > > I'm a Ph.D. student. Usually, I do protein-ligand MD simulation for > 50-100ns in my lab. So can I use any gaming laptop with a good graphics > card in it for running the simulation? Would you recommend to install > Gromacs on a GPU in a laptop? > Your suggestions are highly appreciated. > Thank you in advance. > > Sincerely, > Mr. Swapnil Bhujbal > PhD Scholar, > School of Medicine, > Chosun University, > South Korea. > -- > 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. > -- 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. -- 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.
