Hello, I got an error message while using 8 processors becuase of Shake block crossing node boundaries. Everything was fine when I used a single processor. Any idea how to ease this problem? Thanks! JW
The error message: ============ splitting topology... Walking down the molecule graph to make shake-blocks There are 1470 charge group borders and 1470 shake borders There are 1470 total borders Division over nodes in atoms: 321 321 320 321 321 321 324 321 ------------------------------------------------------- Program grompp, VERSION 3.3 Source code file: splitter.c, line: 121 Fatal error: Shake block crossing node boundaries constraint between atoms (0,680) ============== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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