Hi, Ok, those messages look fine. It deselected the protons as I'm guessing you have not measured proton relaxation. I'm guessing the ones which are deselected due to missing relaxation data are all prolines? I would stop the calculation and start them again using Gary Thompson's multi-processor framework. And output to a log file. Then when it stops again, we will have a record of what the real problem is. Only then will it be possible to work out what happened and why, as with the current information this is an impossible task. If it stops again, run dmesg straight away to capture those messages as well, just in case the issue is the operating system doing strange things.
I would also recommend that you upgrade to relax 3.3.0 as there is a bugfix for the multi-processor printouts (http://wiki.nmr-relax.com/Relax_3.3.0). There is also a fix for the PDB representation of the prolate diffusion tensor (https://gna.org/bugs/?22502). If you would to be informed of new relax releases, you can sign up to the relax-announce mailing list at https://mail.gna.org/listinfo/relax-announce/. This list only receives ~10 messages per year, i.e. see http://news.gmane.org/gmane.science.nmr.relax.announce for a list of all messages in the last 9 years. Regards, Edward On 30 September 2014 15:39, anonymous <[email protected]> wrote: > Follow-up Comment #5, bug #22730 (project relax): > > No no, it is running now as I started a new session. I just wanted to show you > the first messages, where you can see that some of the spins were deselected > 'because of the absense of relaxation mechanisms' (written in red as > RelaxWarnings). My point was to show you that in this regime the program was > running last time up until it stopped and quit at the 'prolate' step. Thought > you might notice some errors or things that have led eventually to the > interruption of calculation? As it is running now - fine, but I am not secure > about the result, if once again the program will quit without such command > from a user. > Thanks for an advice how to speed up! > > Olena > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/bugs/?22730> > > _______________________________________________ > Messaggio inviato con/da Gna! > http://gna.org/ > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel 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-devel
