mailRe: [bug #7755] modsel.py error with "eliminate"


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Posted by Edward d'Auvergne on November 21, 2006 - 04:43:
Hi,

I've downloaded the 'model-free.py' script you attached to bug #7755
and used the 700 MHz NOE, R1, and R2 attached to bug #7787.  When I
changed the model to 'm1' in the script it failed saying:

relax> grid_search(run='m1', lower=None, upper=None, inc=11,
constraints=1, print_flag=1)
The diffusion tensor parameters together with the model-free
parameters for all residues will be used.
RelaxError: A grid search of size
26450979305205261806989386237147382033908144252778478307187545925052959082462488379742502578177291971028210108710737220859231293574997811L
is too large.

Are you sure this is the script you used?

Edward


On 11/21/06, Headey, Stephen <S.J.Headey@xxxxxxxxxxxx> wrote:
model-free.py file attached to bug #7755


-----Original Message----- From: Edward d'Auvergne [mailto:edward.dauvergne@xxxxxxxxx] Sent: Mon 11/20/2006 5:00 PM To: Headey, Stephen Cc: Stephen Headey; relax-devel@xxxxxxx Subject: Re: [bug #7755] modsel.py error with "eliminate"

It is good to keep file attachments to the bare minimum size to
prevent unnecessary strain on the Gna! infrastructure that relax
relies on.  An important question is how did you generate the results
files in the first place?  Would you be able to attach the script you
used to get these results to your bug #7755 report
(https://gna.org/bugs/index.php?7755)?


Edward


On 11/20/06, Headey, Stephen <S.J.Headey@xxxxxxxxxxxx> wrote: > Hi Edward, > > I ran 300 MC simiulations per model. Even when compressed each of the results files is >2 MB. The bugs page says the upper limit is 1024 kB for attachments. Could the file sizes have caused the error in the first place? Would you like me to run fewer simulations and send you the results? > > Steve > > > -----Original Message----- > From: Edward d'Auvergne [mailto:edward.dauvergne@xxxxxxxxx] > Sent: Fri 11/17/2006 6:23 PM > To: Stephen Headey > Cc: Headey, Stephen; relax-devel@xxxxxxx > Subject: Re: [bug #7755] modsel.py error with "eliminate" > > Hi, > > Did you run MC simulations in the original model-free optimisations? > For debugging, would you be able to attach compressed versions of the > results files for those models? > > Cheers, > > Edward > > > On 11/17/06, Stephen Headey <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote: > > > > URL: > > <http://gna.org/bugs/?7755> > > > > Summary: modsel.py error with "eliminate" > > Project: relax > > Submitted by: sjheadey > > Submitted on: Friday 11/17/2006 at 05:01 > > Category: relax's source code > > Severity: 4 - Important > > Priority: 5 - Normal > > Status: None > > Privacy: Public > > Assigned to: None > > Originator Name: > > Originator Email: > > Open/Closed: Open > > Discussion Lock: Any > > Release: Repository: 1.2 line > > Operating System: GNU/Linux > > > > _______________________________________________________ > > > > Details: > > > > Hi Edward, > > > > I've run models 0-5 without a complaint. However, when I try the selection > > script modsel.py I get the following error after the models are read. Do you > > know what is causing this? Aside from specifying models 0-5 the modsel.py > > file I'm using is unmodified. > > > > Cheers, > > Stephen Headey > > > > # m5 # > > > > relax> run.create(run='m5', run_type='mf') > > > > relax> results.read(run='m5', file='results', dir='m5', format='columnar') > > Opening the file 'm5/results' for reading. > > > > relax> eliminate(run=None, function=None, args=None) > > Traceback (most recent call last): > > File "/usr/local/software/relax-1.2/relax", line 454, in ? > > Relax() > > File "/usr/local/software/relax-1.2/relax", line 166, in __init__ > > self.interpreter.run() > > File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 213, in > > run > > run_script(intro=self.relax.intro_string, local=self.local, > > script_file=self.relax.script_file, quit=1) > > File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 388, in > > run_script > > console.interact(intro, local, script_file, quit) > > File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 340, in > > interact_script > > execfile(script_file, local) > > File "modsel.py", line 20, in ? > > eliminate() > > File "/usr/local/software/relax-1.2/prompt/eliminate.py", line 97, in > > eliminate > > self.relax.generic.eliminate.eliminate(run=run, function=function, > > args=args) > > File "/usr/local/software/relax-1.2/generic_fns/eliminate.py", line 100, in > > eliminate > > values = param_values(self.run, i, sim_index=j) > > File "/usr/local/software/relax-1.2/specific_fns/model_free.py", line 1499, > > in get_param_values > > self.param_vector = self.assemble_param_vector(index=index, > > sim_index=sim_index) > > File "/usr/local/software/relax-1.2/specific_fns/model_free.py", line 156, > > in assemble_param_vector > > param_vector.append(self.relax.data.diff[self.run].tm_sim[sim_index]) > > IndexError: list index out of range > > > > > > _______________________________________________________ > > > > Follow-up Comments: > > > > > > ------------------------------------------------------- > > Date: Friday 11/17/2006 at 05:01 By: Stephen Headey <Stephen Headey> > > Hi Edward, > > > > I've run models 0-5 without a complaint. However, when I try the selection > > script modsel.py I get the following error after the models are read. Do you > > know what is causing this? Aside from specifying models 0-5 the modsel.py > > file I'm using is unmodified. > > > > Cheers, > > Stephen Headey > > > > # m5 # > > > > relax> run.create(run='m5', run_type='mf') > > > > relax> results.read(run='m5', file='results', dir='m5', format='columnar') > > Opening the file 'm5/results' for reading. > > > > relax> eliminate(run=None, function=None, args=None) > > Traceback (most recent call last): > > File "/usr/local/software/relax-1.2/relax", line 454, in ? > > Relax() > > File "/usr/local/software/relax-1.2/relax", line 166, in __init__ > > self.interpreter.run() > > File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 213, in > > run > > run_script(intro=self.relax.intro_string, local=self.local, > > script_file=self.relax.script_file, quit=1) > > File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 388, in > > run_script > > console.interact(intro, local, script_file, quit) > > File "/usr/local/software/relax-1.2/prompt/interpreter.py", line 340, in > > interact_script > > execfile(script_file, local) > > File "modsel.py", line 20, in ? > > eliminate() > > File "/usr/local/software/relax-1.2/prompt/eliminate.py", line 97, in > > eliminate > > self.relax.generic.eliminate.eliminate(run=run, function=function, > > args=args) > > File "/usr/local/software/relax-1.2/generic_fns/eliminate.py", line 100, in > > eliminate > > values = param_values(self.run, i, sim_index=j) > > File "/usr/local/software/relax-1.2/specific_fns/model_free.py", line 1499, > > in get_param_values > > self.param_vector = self.assemble_param_vector(index=index, > > sim_index=sim_index) > > File "/usr/local/software/relax-1.2/specific_fns/model_free.py", line 156, > > in assemble_param_vector > > param_vector.append(self.relax.data.diff[self.run].tm_sim[sim_index]) > > IndexError: list index out of range > > > > > > > > > > > > > > > > _______________________________________________________ > > > > Reply to this item at: > > > > <http://gna.org/bugs/?7755> > > > > _______________________________________________ > > Message sent via/by Gna! > > http://gna.org/ > > > > > > _______________________________________________ > > relax (http://nmr-relax.com) > > > > This is the relax-devel mailing list > > relax-devel@xxxxxxx > > > > 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-devel > > > > > >







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