Hi again,
Earlier this morning, I forgot to answer one question of yours...
The problem arises only with model "m0". It systematically arises for
minimisation of "m0" at every round for every diffusion tensor (except
"local_tm") and never for any other model. Also, it systematically
arises for monte carlo simulations when encountering a residue with
model "m0".
Ciao !
Séb
Sébastien Morin wrote:
Hi Ed,
These news concerning the minimization of model "m0" are reassuring. I
agree with you that keeping this behaviour is better than trying to
change it and potentially introducing bugs... However, I would agree if
a small change would be made so the error message says the user that,
in this special case of "m0", the error is normal.
Also, and more concerning, is the apparent break in the monte carlo
simulations... Please see the second message in the bug report (11454)
where I explain that the log file for any given simulation stops after
encountering the "m0" problem even though the results file seems to
contain the simulations results for every residue... This is quite
strange and I'm afraid that the simulations might be affected... Do you
think that the simulations for residues after the "m0" problem will be
fine ? If so, why isn't there anything in the logs concerning residues
following the first "m0" problem..?
Cheers
Séb
Edward d'Auvergne wrote:
Hi,
For model m0, this shouldn't be a problem. This model has no
parameters, hence the dimension of A is 0x0 and for b is 0 (these are
the constraint matrices such that A.x <= b, where x is the parameter
vector). Therefore it doesn't mater if minimisation for the
individual model-free model fails, because there is nothing to
minimise. Code could be added to catch this model and skip it, but
I'd prefer that this behaviour stays. Adding new code for model m0
could introduce bugs, whereas the current behaviour means nothing
happens for this model. So this message will appear for the normal
optimisation of m0 and the Monte Carlo simulations, but is harmless.
Does this message appear for other model-free models?
Cheers,
Edward
On Tue, Apr 8, 2008 at 4:05 AM, Sébastien Morin
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #2, bug #11454 (project relax):
Hi,
I had a look at the log files for other runs and found out that the same
error message appeared for minimization of model "m0" for every diffusion
tensor. For example, here's what's found for the prolate diffusion tensor
right after initialization (folder "init") :
============================
Method of Multipliers
~~~~~~~~~~~~~~~~~~~~~
The constraints have been incorrectly supplied.
relax> results.write(run='m0', file='results', dir='prolate/round_1/m0',
force=1, format='columnar', compress_type=1)
Opening the file 'prolate/round_1/m0/results.bz2' for writing.
============================
The error message appears for every round when at model "m0".
For runs without model "m0", the error message never arises...
Séb
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