Hi! Margaret,
the benchmarks have been done for NAMD 2.2b3 and sander 6, from 2 to 256
processors. You can peek the result here:
http://www.ks.uiuc.edu/Research/namd/performance.html
Best wishes,
Jung-Hsin
On Wed, 22 Aug 2001, Margaret Cheung wrote:
> Hi,
>
> I'm sorry to intrude your conversations. But the following message caught
> my eye. I was wondering if anyone has posted benchmarks for running
> parallel MD in both NAMD and sander. Thank you very much.
>
> Sincerely yours,
> Margaret
>
> >
> > >I then successfully compiled amber6.
> > >When running sander if I set ntc=3, the job bombs and I get the message
> > >for this parallel version only works for ntc < 3
> > >Is this legitimate?
> >
> > Apparently so. Have you looked at NAMD? It can read AMBER prmtop and prmcrd
> > files but is a much better MD implementation, written in C/C++, is much faster
> > on Linux clusters w/ 100BaseT, and is freely available.
> >
> > Dave
> >
>
>
Received on Wed Aug 22 2001 - 10:49:25 PDT
