Re: [gmx-users] Re: Re: help: load imbalance

2013-04-11 Thread Mark Abraham
On Thu, Apr 11, 2013 at 7:07 AM, 申昊 wrote: > > > > Hello, > > >I wanna ask some questions about load imbalance. > > > 1> Here are the messages resulted from grompp -f md.mdp -p topol.top > -c npt.gro -o md.tpr > > > > > >NOTE 1 [file md.mdp]: > > > The optimal PME mesh load for parallel

Re: [gmx-users] Re: Re: help: load imbalance (Justin Lemkul)

2013-04-11 Thread Justin Lemkul
On Thu, Apr 11, 2013 at 1:12 AM, 申昊 wrote: > > > > Hello, > > >I wanna ask some questions about load imbalance. > > > 1> Here are the messages resulted from grompp -f md.mdp -p topol.top -c > > > npt.gro -o md.tpr > > > > > >NOTE 1 [file md.mdp]: > > > The optimal PME mesh load for para

[gmx-users] Re: Re: help: load imbalance (Justin Lemkul)

2013-04-10 Thread 申昊
> > Hello, > >I wanna ask some questions about load imbalance. > > 1> Here are the messages resulted from grompp -f md.mdp -p topol.top -c > > npt.gro -o md.tpr > > > >NOTE 1 [file md.mdp]: > > The optimal PME mesh load for parallel simulations is below 0.5 > > and for highly parallel

[gmx-users] Re: Re: help: load imbalance

2013-04-10 Thread 申昊
> > Hello, > >I wanna ask some questions about load imbalance. > > 1> Here are the messages resulted from grompp -f md.mdp -p topol.top -c > > npt.gro -o md.tpr > > > >NOTE 1 [file md.mdp]: > > The optimal PME mesh load for parallel simulations is below 0.5 > > and for highly parallel