Hi, I received the following error
------------------------------------------------------- Program mdrun, VERSION 4.0 Source code file: domdec.c, line: 2933 Fatal error: Step 10: The X-size (-32.295326) times the triclinic skew factor (1.000000) is smaller than the smallest allowed cell size (1.200000) for domain decomposition grid cell 0 0 0 ------------------------------------------------------- under the following conditions GROMACS 4.0 installed on a Cray XT4 at nics.utk.edu #PBS -l walltime=12:00:00,size=16 aprun -n 16 mdrun -maxh 29.5 The system has 84272 atoms in a box that is approx. 10x10x10. It works with 8 processors but I would think that this is fine divided up between 16 processors. Any suggestions for understanding this error message would be appreciated. Thanks, Matt --------------------------------------------- Matthew Hoopes Biophysics Graduate Group University of California, Davis [EMAIL PROTECTED] 530-752-6452 --------------------------------------------- _______________________________________________ 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
