Looking at the Log files, the error seems to be due to SystemError: xplor-nih error: unable to open output file gb1_extended_3421.pdb
ie., the initial Extended conformation not being able to be written but only by 'some' of the processes which prompted my Question initially. Why everything being same, only few processes have this problem ? Also I noticed that the Seed is being same for all the structures (atleast initially set by seed=3421). But, since the parallelization is implicit in the Python StructureLoop (i am using a version of anneal.py from eginputs dir)does this affect the Structure Calculation in anyway ? And again, why only some of the processes should exit - if I am initiating 8 parallel processes, is the problem arising because, some of them are trying to write the Extended conformation simultaneously ? If so, How do i fix it ? Thanks Charles at Schwieters.org wrote: If there are errors, not all of the files are computed. Generally, thesource of the error should be found and corrected. Please look at the log files. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- http://knowdeal.110mb.com Best Web Hosting at Lunarpages.com Coupon : besthostdeal Yahoo! Mail - Your Free E-mail Service --------------------------------- Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try it now. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20080416/6338421a/attachment.html
