> -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] > 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: [EMAIL PROTECTED] [mailto:gmx-users- > [EMAIL PROTECTED] > > 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 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > _______________________________________________ > gmx-users mailing list gmx-users@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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
