Follow-up Comment #7, bug #22730 (project relax): In this log file, I see two problems. The first is the incredibly high chi2 value. This is a clear indication that there is a problem with the input data. The chi2 value should be in the thousands range, not 200507.26. The second is that the sphere model is being optimised over and over again. This should not happen! The only thing I can think of is that mpirun is not being used correctly. What command did you use at the prompt to run this? In either case, I cannot see what is happening because the log is too truncated. If you use bzip2 to compress the log file, is it under 1 Mb? That would be much better to attach to understand the problem. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?22730> _______________________________________________ Message sent via/by Gna! http://gna.org/