Hi all.
I have just installed GROMACS 4.0. My system consists of one hydroxide
ion and 999 polarizable water molecules. When the system is minimized
(using only one CPU) with a steepest descent minimizer, there are no
problems. But when I try to minimize exactly the same system using 4 or
8 CPUs, I get the following error:
Reading file topol.tpr, VERSION 4.0 (double precision)
Making 1D domain decomposition 4 x 1 x 1
Steepest Descents:
Tolerance (Fmax) = 1.00000e+01
Number of steps = 100000
A list of missing interactions:
exclusions of 14987 missing -1
-------------------------------------------------------
Program mdrun4_d, VERSION 4.0
Source code file: domdec_top.c, line: 337
Software inconsistency error:
One or more interactions were multiple assigned in the domain decompostion
-------------------------------------------------------
"Microsecond Here I Come" (P.J. Van Maaren)
Error on node 0, will try to stop all the nodes
Halting parallel program mdrun4_d on CPU 0 out of 4
gcq#161: "Microsecond Here I Come" (P.J. Van Maaren)
Any ideas why this could be?
Regards
Andreas
_______________________________________________
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
