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Hi David-- I'm forwarding this to the list, because it may bite others as well. > >> Hi Brady, the job I started yesterday morning wrote out all my >> structure files and then hung up with messages in the .out.0 file >> of "trying .-barrier-XXXX-X" and "waiting for process X", where X >> are numbers I do not remember, and "waking all processes". >> These are normal messages for xplor-nih-2.14. >> The next job I ran went through only half the calculations and >> wrote out half the files. It hung up after it calculated the first >> batch of files in the "structureLoop" of my python script. The >> messages in the .out.0 file are "trying .-barrier-8064-1", "waiting >> for process 1". The other .out files I looked at simply look >> suspended. This (mis)behavior is known to occur. It probably means there are some inconsistencies reading/writing files from/to the cluster's common (probably NFS) file system. Due to problems like these, xplor-nih-2.15 uses a different synchronization mechanism. The temporary workaround is to disable the statistics-gathering and averaging features of StructureLoop: i.e. do not specify the averageFilename, or genViolationStats parameters. regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.3 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEvocOPK2zrJwS/lYRArexAKCF+4NeFux7gNoeskzdT+5L9z9ClgCeM+NP abgFQWYcJQQP9TmDCN5+/bQ= =t3OU -----END PGP SIGNATURE-----
