[bug #7225] Test Suite Check: palmer.py -- September 28, 2006 - 15:06

URL:
  <http://gna.org/bugs/?7225>

                 Summary: Test Suite Check:  palmer.py
                 Project: relax
            Submitted by: viochemist
            Submitted on: Thursday 09/28/2006 at 13:06
                Category: None
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Other (missing version)
        Operating System: None

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Details:

Please see https://mail.gna.org/public/relax-users/2006-09/msg00031.html
for a full post.


-- the stage is set to 2 in palmer.py, so I change that to 1

$ python relax palmer.py

It fails with this at the end:

...
relax> palmer.execute(run='m1', dir=None, force=1, binary='modelfree4')
RelaxError: Execution of the program Modelfree4 has failed.

I figure it needs modelfree4 to be there so, I copy it from another
directory into  the relax directory and try again

$ python relax palmer.py

...
relax> palmer.create(run='m1', dir=None, force=0, binary='modelfree4',
diff_search='none', sims=0, sim_type='pred', trim=0, steps=20,
constraints=1, nucleus='15N', atom1='N', atom2='H')
RelaxError: The file 'm1/mfin' already exists.  Set the force flag to 1 to
overwrite.

Oh yeah, modelfree doesn't like writing over things ... try again with force
= 1

$ python relax palmer.py

...
relax> palmer.execute(run='m1', dir=None, force=1, binary='modelfree4')
RelaxError: Execution of the program Modelfree4 has failed.






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