Have a look here: http://www.gromacs.org/pipermail/gmx-users/2007-November/030491.html
Perhaps try downloading the new version and re-compiling. -Justin Quoting Nadia Gro <[EMAIL PROTECTED]>: > Dear David, > > while ERROR for dec+water complex test is clear, I do not know what to make > of this one: > > > FAILED. Check files in acetonitrilRF > > from /gmxtest/complex/acetonitrilRF/md.log: > > Initializing LINear Constraint Solver > number of constraints is 526 > average number of constraints coupled to one constraint is 0.0 > > Rel. Constraint Deviation: Max between atoms RMS > Before LINCS 0.004201 766 767 0.001573 > After LINCS 0.000001 481 482 0.000000 > > > Constraining the coordinates at t0-dt (step -1) > Rel. Constraint Deviation: Max between atoms RMS > Before LINCS 0.000121 796 797 0.000045 > After LINCS 0.000001 685 686 0.000000 > > Started mdrun on node 0 Thu Apr 3 14:52:16 2008 > Initial temperature: 326.674 K > Configuring nonbonded kernels... > Testing AMD 3DNow support... not present. > Testing ia32 SSE support... present. > > > > ------------------------------------------------------- > Program mdrun, VERSION 3.3.2 > Source code file: network.c, line: 437 > > Routine should not have been called: > gmx_sumi > ------------------------------------------------------- > > Please advise, thank you! > Nadia > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ 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