mail[bug #22730] Model-free auto-analysis - relax stops and quits at the polate step.


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Posted by Edward d Auvergne on October 15, 2014 - 11:11:
Follow-up Comment #13, bug #22730 (project relax):

Ah, loading a saved state would cause the messages to be truncated.  Do you
have the log messages for when this saved state was created?  Those early
messages would be the interesting ones that might indicate where the problem
is.

For the Mega website, I don't have an account so I cannot download the file. 
Could you maybe create a saved state prior to clicking on the 'Execute' button
and send that to me privately?  Better still, if you slightly randomised the
relaxation data, change the PDB file name, and anonymised the saved state,
then it could be attached here.  I could then include the file into the relax
test suite and create a system test for this.  If any bug can be put into a
system test and caught, then it usually takes me only 5-10 minutes to then
solve it!

From the previous messages (comment #9) there is clearly something that is 
not
right.  The 42085 initialisiations of the spherical diffusion tensor is very,
very wrong!  This can only happen once, as that is what the code says
<http://www.nmr-relax.com/api/3.3/auto_analyses.dauvergne_protocol-pysrc.html#dAuvergne_protocol.execute>.
 For this code, it should actually be impossible.  There is nothing in the
current log files, or the relax source code, which point to why there is this
extreme situation.  I am at a complete loss as to what could even be
happening.

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