Re: [gmx-users] AVX libraries with GMX4.6.3

same but for X=8,9 SSE is an order of magnitude better than AVX. For a more normal value like X=5,6 the acceleration types certainly agree so this might not be very important but I wanted to post what I have seen nonetheless. Best, Ali Sinan Saglam On Fri, Aug 30, 2013 at 2:32 PM, Mark Abraham

Re: [gmx-users] A question about velocity rescaling thermostat and velocity verlet integrator

Hi Mark, Thank you for the suggestion, that's what I needed to know! Best, Ali Sinan Saglam On Fri, Aug 30, 2013 at 3:51 AM, Mark Abraham wrote: > >From memory, the Bussi thermostat does take its seed from ld-seed. You > can see this yourself by observing that mdrun -reprod wi

[gmx-users] AVX libraries with GMX4.6.3

sults) Also all builds passed regression tests. I just wondered if this is a known problem or are we making a mistake while compiling? Best, Ali Sinan Saglam -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at

Re: [gmx-users] AVX libraries with GMX4.6.3

tested but had similar results (his system heated to 400+K) and we didn't share any input files. All conserved energy fine with SSE instruction set (my results were losing energy with 1.1kcal/mol.ps) Best, Ali Sinan Saglam On Fri, Aug 30, 2013 at 12:03 PM, Mark Abraham wrote: > With what

[gmx-users] A question about velocity rescaling thermostat and velocity verlet integrator

nline/mdp_opt.html#run) Best, Ali Sinan Saglam -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests t