----------------------------------------
> Date: Thu, 28 Feb 2008 09:08:27 +0100
> From: [EMAIL PROTECTED]
> To: [email protected]
> Subject: Re: [gmx-users] cannot do constraint force run in parallel?
>
> Nickle Fan wrote:
> > gmx-ers:
> >
> > A while ago Beniamino posted a question regarding the difficulty in
> > doing constraint force in parallel. I am having the same problem now.
> > Specifically, when attemping to run on several nodes using mpirun, the
> > code says:
> >
> > Fatal error:
> > Can not do constraint force calculation in parallel!
> >
> > Is this a problem with the way I am using gromacs or it is a known
> > limitation (unlikely, I feel).
>
> gromacs 4 will be the first and only program (so far) to allow parallel
> constraints, see announcement on the website. Until then you can use
> constraint = h-bonds, or use fewer cpus.
These are center of mass pulling constraints, not bond constraints.
But also those do not work in parallel in Gromacs 3 and will work in parallel
in Gromacs 4.
Berk.
_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE!
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
