error while running relax-GUI tutorial

2014-11-17 Thread Prem Raj Joseph
Hello all, I was using the GUI version of the software to run the tutorial available in the manual for analysis of relaxation dispersion. When i execute the run I get the following error RelaxPipeError: RelaxError: The data pipe 'R2eff - relax_disp (Mon Nov 17 10:50:08 2014)' already exists. Not

Re: error while running relax-GUI tutorial

2014-11-18 Thread Edward d'Auvergne
Hi Prem, Welcome to the relax mailing lists! For the problem you are seeing, could you please create a bug report for this (https://gna.org/bugs/?func=additem&group=relax)? Cheers! It would be good to know what steps you took to encounter this bug, and where in the analysis the problem occurred

Re: error while running relax-GUI tutorial

2014-11-18 Thread Troels Emtekær Linnet
Dear Prem. Welcome to the mailing list! I guess that you mean the manual at: http://www.nmr-relax.com/manual/Contents.html The relaxation dispersion auto-analysis in the GUI http://www.nmr-relax.com/manual/The_relaxation_dispersion_auto_analysis_in_the_GUI.html Where the test data is in: test_s

Re: error while running relax-GUI tutorial

2014-11-18 Thread Troels Emtekær Linnet
Hi Prem. I added the tutorial here: http://wiki.nmr-relax.com/Tutorial_for_The_relaxation_dispersion_auto-analysis_in_the_GUI I tried to take power of the scripting, to get around the tedious work on defining the experiment settings for all spectra. So this script should take you to the "end po

Re: error while running relax-GUI tutorial

2014-11-18 Thread Edward d'Auvergne
Hi Troels and Prem, Troels, for a suggestion for improving the script in your tutorial, you could use: """ from time import asctime, localtime pipe_bundle = "relax_disp (%s)" % asctime(localtime()) pipe_name = "origin - %s" % pipe_bundle """ This is how the new analysis wizard in relax creates

Re: error while running relax-GUI tutorial

2014-11-18 Thread Edward d'Auvergne
Hi Troels, For the tutorial at http://wiki.nmr-relax.com/Tutorial_for_The_relaxation_dispersion_auto-analysis_in_the_GUI , I would suggest also adding that relax can be run using OpenMPI to speed up the relaxation dispersion analysis. So that if you have a machine with 8 cores and OpenMPI and pyt

Re: error while running relax-GUI tutorial

2014-11-19 Thread Prem Raj Joseph
Hello Troels and Edwards, The modified tutorial that you sent me worked fine. Looks like I might have done some mistake while setting up the run using the original GUI tutorial for relaxation dispersion. I will try the original tutorial again to make sure the setup was fine. if the error still pop

Re: error while running relax-GUI tutorial

2014-11-19 Thread Prem Raj Joseph
Hello Edward and Troels, I will take a look at the suggestion and try again. This is the first time I am using the program for relaxation dispersion analysis. I will also go through the tutorial one more time to make sure that I went through all the steps. I will also create the bug reports and se

Re: error while running relax-GUI tutorial

2014-11-19 Thread Prem Raj Joseph
Hello Edward, I tried the GUI version of the setup again for the relaxation dispersion (on the test data) and it ran without any error this time. Its possible I made some mistake during the setup thr last time. Thank again for the help Prem On Tue, Nov 18, 2014 at 5:27 AM, Edward d'Auvergne

Re: error while running relax-GUI tutorial

2014-11-24 Thread Edward d'Auvergne
Hi Prem, From the error message, this is within the automated analysis for relaxation dispersion. Creating the data pipe 'R2eff - relax_disp (Mon Nov 17 10:50:08 2014)' can only happen once, as the 'R2eff' model is only optimised once (there is a loop over all models). There is only one thing I