Re: [gmx-users] Slow MDRUN performance

Hi, OK. The build system will choose these defaults correctly for you if you just leave things alone ;-) Mark On Wed, Jun 21, 2017 at 1:17 PM Syed Azeem wrote: > > > > Hi, > > > > On Wed, Jun 21, 2017 at 12:47 PM Syed Azeem > > >

Re: [gmx-users] Slow MDRUN performance

> > Hi, > > On Wed, Jun 21, 2017 at 12:47 PM Syed Azeem > wrote: > >> Hi all, >> >> I installed gromacs 5.1.2 on a new machine. >> Config: Intel Core i5 6500 3.20 GHz Quad Core Skylake with 8 GB DDR4. >> >> Then I started a NVT simulation for 500ps with ~25 atom

Re: [gmx-users] Slow MDRUN performance

Hi, On Wed, Jun 21, 2017 at 12:47 PM Syed Azeem wrote: > Hi all, > > I installed gromacs 5.1.2 on a new machine. > Config: Intel Core i5 6500 3.20 GHz Quad Core Skylake with 8 GB DDR4. > > Then I started a NVT simulation for 500ps with ~25 atom system. >

[gmx-users] Slow MDRUN performance

Hi all, I installed gromacs 5.1.2 on a new machine. Config: Intel Core i5 6500 3.20 GHz Quad Core Skylake with 8 GB DDR4. Then I started a NVT simulation for 500ps with ~25 atom system. Surprisingly, the estimated time was 4 days and 3 hours. There was a note stating consider rebuilding gmx