Re: [bug #20563] Relax failed while running final execution -- March 08, 2013 - 09:30

Hi Stacy,

This is taking quite a while to reproduce the bug.  Would it be
possible that you attach a relax save file which is saved prior to
executing the final step of the protocol?  One other thing, did you
label your relaxation data sets as '1', '2', '3', and '4'?  I'm trying
to work out why there is a relaxation ID called '4'.

Cheers,

Edward


On 26 February 2013 18:32, Stanislava Panova
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> URL:
>   <http://gna.org/bugs/?20563>
>
>                  Summary: Relax failed while running final execution
>                  Project: relax
>             Submitted by: stacy
>             Submitted on: Tue 26 Feb 2013 05:32:16 PM GMT
>                 Category: GUI
>                 Severity: 5 - Blocker
>                 Priority: 5 - Normal
>                   Status: None
>                  Privacy: Public
>              Assigned to: None
>          Originator Name:
>         Originator Email:
>              Open/Closed: Open
>          Discussion Lock: Any
>                  Release: 2.2.2
>         Operating System: GNU/Linux
>
>     _______________________________________________________
>
> Details:
>
> Relax failed while running final execution after running local_tm and sphere
> mode successfully.
>
> Exception raised in thread.
>
> Traceback (most recent call last):
>   File "/usr/local/relax-2.2.2/gui/analyses/execute.py", line 87, in run
>     self.run_analysis()
>   File "/usr/local/relax-2.2.2/gui/analyses/auto_model_free.py", line 808, 
> in
> run_analysis
>     dauvergne_protocol.dAuvergne_protocol(pipe_name=self.data.pipe_name,
> pipe_bundle=self.data.pipe_bundle, results_dir=self.data.save_dir,
> diff_model=self.data.global_models, mf_models=self.data.mf_models,
> local_tm_models=self.data.local_tm_models, grid_inc=self.data.inc,
> diff_tensor_grid_inc=self.data.diff_tensor_grid_inc,
> mc_sim_num=self.data.mc_sim_num, max_iter=self.data.max_iter,
> conv_loop=self.data.conv_loop)
>   File "/usr/local/relax-2.2.2/auto_analyses/dauvergne_protocol.py", line 
> 234,
> in __init__
>     self.execute()
>   File "/usr/local/relax-2.2.2/auto_analyses/dauvergne_protocol.py", line 
> 734,
> in execute
>     self.interpreter.monte_carlo.create_data()
>   File "/usr/local/relax-2.2.2/prompt/uf_objects.py", line 219, in __call__
>     self._backend(*new_args, **uf_kargs)
>   File "/usr/local/relax-2.2.2/generic_fns/monte_carlo.py", line 76, in
> create_data
>     error = return_error(data_index)
>   File "/usr/local/relax-2.2.2/specific_fns/api_common.py", line 260, in
> _return_error_relax_data
>     error.append(spin.ri_data_err[ri_id])
> KeyError: '4'
>
> PS I have tried to analyze relaxation data and it failed. Main steps:
> 1)load sequence from NOE data file
> 2)check spin.name, spin.element, spin.isotope
> 3)load relaxation data: 4 files (R1, R2, NOE for 800 MHz and  R2 for 600MHz)
> 3)sequence.attach_protons()
> 4)dipolar relaxation (as I don't have pdb file, I have skipped first part 
> and
> applyed only magnetic dipolar relaxation setup)
> 5)csa relaxation
> 6)protocol model local tm
> 7) execute relax
> 8)protocol sphere
> 9)execute relax
> 10)protocol final
> 11)execute relax
>
>
>
>
>
>     _______________________________________________________
>
> File Attachments:
>
>
> -------------------------------------------------------
> Date: Tue 26 Feb 2013 05:32:16 PM GMT  Name: R2604  Size: 2kB   By: stacy
>
> <http://gna.org/bugs/download.php?file_id=17348>
> -------------------------------------------------------
> Date: Tue 26 Feb 2013 05:32:16 PM GMT  Name: R1850  Size: 2kB   By: stacy
>
> <http://gna.org/bugs/download.php?file_id=17349>
> -------------------------------------------------------
> Date: Tue 26 Feb 2013 05:32:16 PM GMT  Name: R2863  Size: 2kB   By: stacy
>
> <http://gna.org/bugs/download.php?file_id=17350>
> -------------------------------------------------------
> Date: Tue 26 Feb 2013 05:32:16 PM GMT  Name: NoeRelN  Size: 2kB   By: stacy
>
> <http://gna.org/bugs/download.php?file_id=17351>
>
>     _______________________________________________________
>
> Reply to this item at:
>
>   <http://gna.org/bugs/?20563>
>
> _______________________________________________
>   Message sent via/by Gna!
>   http://gna.org/
>
>
> _______________________________________________
> relax (http://www.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