Hi Olena, I'll reply here on the relax-devel mailing list (https://mail.gna.org/listinfo/relax-devel/), as discussions are easier on the mailing list rather than on the bug tracker. For fast responses, you could sign up to the list and later remove yourself, if you wish. Please see below:
On 30 September 2014 13:02, anonymous <no-reply.invalid-addr...@gna.org> wrote: > Follow-up Comment #2, bug #22730 (project relax): > > Thanks for your quick and promtp reply, > > Here are the answers to your questions: > > 1) No, they did not stop at the same point, Xubuntu stopped at the point of > 'Obate' 5 rounds. This is then very, very suspicious. The fault cannot be within the auto-analysis as otherwise it would stop at exactly the same point! > 2) Couldn't find log file. See 3). You should run relax with the --log or --tee options, as described in the introduction chapter of the manual (http://www.nmr-relax.com/manual/Scripting.html and http://www.nmr-relax.com/manual/GUI.html). It's very important to have a copy of the log files so you can check for all warnings and errors. You must check each RelaxWarning carefully to make sure relax is doing exactly what you expect it to do. Sometimes a warning at the start of the analysis is the failure point later on in the analysis, and that might be the case here (however your answer to 1 discounts this). Note that this file can get very, very big - hundreds of megabytes or even gigabytes for a very long analysis. The output of this log file, which is the same as what you see in the relax controller window in the GUI (from the menu 'View->Controller'), is very important for solving any problems. > 3) Done for both Xubuntu and Linux. Files attached. >From this output, I can see a major problem. I don't know if this will be an issue or not, it's too hard to tell. Your model-free output directory is your home directory! This can be rather dangerous if there are files with the same name in there, as the auto-analysis will overwrite everything. I would suggest that you create a dedicated directory for your analyses, containing all your input data. Then create a subdirectory with a date for your analysis inside this. You may wish to re-perform an analysis later on after refining the data - this can then go in another subdirectory using a different date. It is important to organise and keep the data and results all separated. > 4) Couldn't run 'relax i', I guess it is possible while the program is > running. I remember doing that to see whether CPU is working. It was ok. The command is 'relax -i' rather than 'relax i': $ relax i Usage: relax [options] [script_file] RelaxError: the script file 'i' does not exist $ relax -h Usage: relax [options] [script_file] Options: -h, --help show this help message and exit UI options: -p, --prompt launch relax in prompt mode after running any optionally supplied scripts -g, --gui launch the relax GUI -i, --info display information about this version of relax -v, --version show the version number and exit --licence display the licence --test run relax in test mode Multi-processor options: -m MULTIPROCESSOR, --multi=MULTIPROCESSOR set multi processor method -n N_PROCESSORS, --processors=N_PROCESSORS set number of processors (may be ignored) IO redirection options: -l LOG_FILE, --log=LOG_FILE log relax output to the file LOG_FILE -t LOG_FILE, --tee=LOG_FILE tee relax output to both stdout and the file LOG_FILE Test suite options: -x, --test-suite execute the full relax test suite -s, --system-tests execute the system/functional tests -u, --unit-tests execute the unit tests --gui-tests execute the GUI tests --verification-tests execute the software verification tests --time enable the timing of individual tests in the test suite --no-skip a debugging option for relax developers to turn on all blacklisted tests, even those that will fail Debugging options: -d, --debug enable debugging output --error-state save a pickled state file when a RelaxError occurs --traceback show stack tracebacks on all RelaxErrors and RelaxWarnings -e, --escalate escalate all warnings to errors --numpy-raise convert numpy warnings to errors $ > 5)Graphical UI for both Xubuntu and Linux. When the analysis stopped, was the GUI still functional? What did you see? > 6)Ran 'dmesg' on both and files attached. But the computer was restarted at > least for Xubuntu.. Looking at the dmesg output, there is nothing at all in there unfortunately. Was there are restart for the analysis on the computer as well? The dmesg output tells you if relax was killed by the operating system because it ran out of memory. But that will cause the GUI to be killed as well. What was the state of the GUI when the analysis finished? Did any error or warning windows appear? Did you see anything in the relax controller window? Cheers, Edward _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org 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