Re: Using multi-processor for model_free

2016-09-28 Thread Troels Emtekær Linnet
Another possibility for the "slowness" is "the very well known" that, printing to screen makes python slow. Extremely slow... And all the minimization information to screen actually slow downs relax (through python). For even faster calculations, just "log" the relax output with -l, and do not

Re: Using multi-processor for model_free

2016-09-28 Thread Troels Emtekær Linnet
If you get different results, for the same setup, this is not good. Not at all ! Have you run the full relax test suite after installation? http://wiki.nmr-relax.com/Installation_test run it with: relax -x This takes about 1 Hour to run, and should not be used with multiple processors. Relax

Re: Using multi-processor for model_free

2016-09-28 Thread Troels Emtekær Linnet
To test the speed difference between script and GUI, you could try to run the full test-suite through the terminal or inside the GUI. That should give you a clue about time difference. 2016-09-28 20:32 GMT+02:00 Troels Emtekær Linnet : > If you get different results, for

Re: Using multi-processor for model_free

2016-09-28 Thread Mahdi, Sam
Hi Troels, An update on protein number 1: I have successfully resolved the problem. Initially the pdb file had HN instead of just H for the backbone hydrogens. So it couldn't read it. I changed all the HN to H. Then I recieved the error RelaxError: Multiple alternate location indicators are

Re: Using multi-processor for model_free

2016-09-28 Thread Mahdi, Sam
Hey Troels, I ran the relax -x and recieve this error at the GUI tests = = GUI tests = = ** Gtk:ERROR:gtkfilesystemmodel.c:746:gtk_file_system_model_sort: assertion failed: (r == n_visible_rows) Abort (core dumped) crowlab: [~/relax-4.0.2]> On

Re: Using multi-processor for model_free

2016-09-28 Thread Troels Emtekær Linnet
Hi Sam. Thank you for your valuable feedback! It makes it more fun to help :) Can you check if this is not in your script : http://wiki.nmr-relax.com/Tutorial_for_model-free_analysis_sam_mahdi#Let_us_try_to_execute # Execution. # Change some opt params.# COMMENT THESE OUT FOR REAL

Re: Using multi-processor for model_free

2016-09-28 Thread Mahdi, Sam
Hi Troels, I wanted to give a bit of feedback on the results I've obtained throughout the few weeks I've been using model free on relax. First off, thank you guys (both you and Edward) immensly for your patience and help as I attempted to understand and work relax. Secondly, I have noticed a