[bug #7297] Ellipsoid values outside of allowable range -- October 03, 2006 - 20:26

URL:
  <http://gna.org/bugs/?7297>

                 Summary: Ellipsoid values outside of allowable range
                 Project: relax
            Submitted by: viochemist
            Submitted on: Tuesday 10/03/2006 at 18:26
                Category: None
                Priority: 5 - Normal
                Severity: 4 - Important
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Repository: 1.2 line
        Operating System: GNU/Linux

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Details:

Upon running my ellipsoid calculations, I get this error every once and a
while.  Again, after the first failure, all subsequent rounds fail.


ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The Dr value of 1.0000000000065461 should be between zero and
one.


This always occurs on the first round following the initial round.

This is obviously some sort of rounding error, double/float, 32MB/64MB
processor, possibly when reading in the initial results (?).  If my
nomenclature is wrong, feel free to yell at me :)  Again, if some input data
would be helpful, please let me know.

Alex Hansen






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