[gmx-users] Energy minimization problem with Double precision and mpi

[Josiah Zayner]

> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of David van der Spoel
> Sent: Sunday, June 24, 2007 4:18 AM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Energy minimization problem with Double precision
> andmpi
> 
> Josiah Zayner wrote:
> > -----Original Message-----
> > From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org]
> > On Behalf Of David van der Spoel
> > Sent: Saturday, June 23, 2007 4:36 PM
> > To: Discussion list for GROMACS users
> > Subject: Re: [gmx-users] Energy minimization problem with Double
> precision
> > andmpi
> >
> > Josiah Zayner wrote:
> >> I managed to install mdrun_d from CVS and the problem is fixed....
> >
> >
> >>> you didn't say which cvs solved your problem. was it the
> >>> release_3_3_patches branch?
> >
> > Mdrun_d says version: 3.3.99_development_20070413
> > It was the main branch.
> >
> OK,
> 
> this branch is not yet quite stable, we are still testing things there.
> It would be good to know whether the  release_3_3_patches branch also
> solves your problem.

Installing the release-3-3-patches branch also solves the problem. I only
tested it on two nodes ie. -np 2 but I assume it would also work for more.

> 
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php