Re: [gmx-users] Ruuning MD simulation on laptop

2019-11-05 Thread Matthew Fisher
m: gromacs.org_gmx-users-boun...@maillist.sys.kth.se on behalf of Billy Williams-Noonan Sent: 05 November 2019 06:32 To: gmx-us...@gromacs.org Cc: gromacs.org_gmx-users@maillist.sys.kth.se Subject: Re: [gmx-users] Ruuning MD simulation on laptop Commonly used gaming cards can accelerate MD s

Re: [gmx-users] Ruuning MD simulation on laptop

2019-11-04 Thread Billy Williams-Noonan
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 logica

[gmx-users] Ruuning MD simulation on laptop

2019-11-04 Thread Swapnil Bhujbal
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