time for every MD step

[Matt W]

How much input/output information are you using?

Matt

On Apr 24, 11:06 pm, "LIANG Yunfeng" <liangy... at gmail.com> wrote:
> Dear Axel,
>
> it is only a water system. For a small system(with 16 molecules), you will
> only see it (the consuming time increase) after 5000 step(5ps), and becoming
> apparent after 10,000 steps. For a large system(with 192 molecules), you can
> see it around 500 steps. Well, nothing serious...The architecture is amd
> machine with infiniband and pgi compiler.
>
> Sincerely, Yunfeng
>
> On Wed, Apr 23, 2008 at 11:20 AM, Axel <akoh... at gmail.com> wrote:
>
> > On Apr 23, 12:00 pm, "LIANG Yunfeng" <liangy... at gmail.com> wrote:
> > > Dear All,
>
> > > Have you everyone notice the consuming time for Quickstep is increasing
> > as
> > > the MD is propagating with the time?
>
> > no. i don't see this. can you provide an
> > input example...
>
> > cheers,
> >   axel.
>
> > > I guess there will be a way to solve...
>
> > > Sincerely, Yunfeng