Hi Jack, Welcome to the relax mailing lists! Wow, it's rare to see bugs in the model-free part of relax nowadays! Though this problem has been seen before by Martin Ballaschk, see the thread at:
http://thread.gmane.org/gmane.science.nmr.relax.user/1291 The thread continues at: http://thread.gmane.org/gmane.science.nmr.relax.user/1312 Unfortunately you will see that no solution was found in the end, apart from a problem with the input relaxation data. But you will see that the problem is identical to what you see. Would you be able to perform the checks I mention in my response at: http://thread.gmane.org/gmane.science.nmr.relax.user/1291/focus=1292 If you can create a mini data set of 1 or 2 residues, as mentioned in that link, which reproduce the bug, I will then be able to add that to the relax test suite and eliminate the bug within a very short time. Files can be attached directly to your bug report (http://gna.org/bugs/?21001). With a good truncated data set and script, it usually takes me about 5-10 min to eliminate the bug. If I can replicate it, I can quickly eliminate it. Cheers, Edward On 1 August 2013 22:30, Jack Skinner <skinn...@uchicago.edu> wrote: > I am having a problem with the dauvergne_protocol.py script crashing when I > set DIFF_MODEL = 'sphere' > All other models run fine except for 'final', which complains about the > missing 'sphere' results. > > I am running this script with 8 processors using mpirun > mpirun -np 8 relax --multi='mpi4py' -n 7 --tee rnd2.log relax_rnd2.py > > The error message starts: > relax> grid_search(lower=None, upper=None, inc=11, constraints=True, > verbosity=1) > > Over-fit spin deselection: > No spins have been deselected. > Only diffusion tensor parameters will be used. > Parallelised diffusion tensor grid search. > Traceback (most recent call last): > File "/export/home/skinnerj/mypackages/relax-2.2.5/multi/processor.py", > line 479, in run > ...many lines that might not be helpful... > then: > Capturing_exception: > File "/export/home/skinnerj/mypackages/relax-2.2.5/multi/processor.py", > line 522, in run > command.run(self, completed) > File > "/export/home/skinnerj/mypackages/relax-2.2.5/specific_fns/model_free/multi_processor_commands.py", > line 129, in run > results = self.optimise() > File > "/export/home/skinnerj/mypackages/relax-2.2.5/specific_fns/model_free/multi_processor_commands.py", > line 175, in optimise > results = grid_point_array(func=self.mf.func, args=(), > points=self.opt_params.subdivision, verbosity=self.opt_params.verbosity) > File "/export/home/skinnerj/mypackages/relax-2.2.5/minfx/grid.py", line > 264, in grid_point_array > n = len(points[0]) > > Nested Exception from sub processor > Rank: 1 Name: kff4-pid14220 > Exception type: IndexError > Message: index out of bounds > > > Any suggestions will be appreciated. Thanks! > > > John "Jack" Skinner, Ph. D. | Postdoctoral Fellow | University of Chicago > Lab: 773.834.0658 | GCIS Room W107E, 929 E. 57th St. Chicago, IL 60637 > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-users mailing list > relax-users@gna.org > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-users > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
