Unfortunately it is not possible to stop relax at any point in time and then restart it from that exact position.
The ability to suspend the program at any stage and then resume later on is a very complex coding issue which relax has not even tried to implement. For example if you are in the middle of a large grid search, there is the complex issue of the granularity of the information saved about the current status of the program - which function is currently being executed, what all the internal variables are, how far down the function you are up to, etc - which for number crunching would be a very large overhead. There is also the issue of how far down a script relax has read (which again is complex as the script can include functions, classes, or any Python programming semantics). Also the script and where in the script needs to be saved. For the 'full_analysis.py' script, things are a little different. For one iteration of the script, many calculations are executed and saved. If the script is interrupted, you'll have a lot of usable information saved in the results files. In that case what you need to do is create a new script (or set of scripts) by copying parts of the 'full_analysis.py' script so that it runs parts of the analysis from where you lost power. For example if you were in the multi_model() function of the script, then you just need to point it to the previous iteration to get the diffusion tensor and optimise the model-free models which weren't optimised, run the AIC model selection, and run the final optimisation of all parameters. I did want to make the script flexible enough to stop and resume at any spot (with the granularity at the level of the results files), but that would have made the script far too complex. I hope this helps, Edward On 1/16/07, Sebastien Morin <[EMAIL PROTECTED]> wrote:
Hi everyone We just had a major electricity failure in Quebec City and Laval University campus and this incident raised questions. I wonder if it is possible to stop a relax run and then restart it exactly where it was. I know it is possible with some programs... If it is not possible, I guess I have to delete the output folders created with the full_analysis.py script from the iteration that was stopped and then start the iteration again... Thanks ! Sébastien _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] 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-users
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