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-ADDRESS@xxxxxxx>
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
Re: [bug #22730] Model-free auto-analysis - relax stops and quits at the polate step.