-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Hello Fred--
> We have just installed xplor-nih-2.25 on our linux cluster using
> SGE (version6.2) for job submission. Version 2.24 works fine however,
> version 2.25 fails. I've attached below the log file from one of the
> jobs which gives typical output from a failed run. This was an attempt
> to run anneal.py from the eginput/protG directory on one of our
> structure calculations. Any suggestions would be gratefully received.
> anneal2.py(31): protocol.initParams("protein") Traceback (most recent call
> last):
> File "<string>", line 2, in <module>
> File "/opt/xplor-nih/python/trace.py", line 180, in run
> exec cmd in dict, dict
> File "<string>", line 1, in <module>
> File "anneal2.py", line 31, in <module>
> protocol.initParams("protein")
> File "/opt/xplor-nih/python/protocol.py", line 178, in initParams
> addParams(file)
> File "/opt/xplor-nih/python/protocol.py", line 160, in addParams
> file = genTopParFilename(file,True)
> File "/opt/xplor-nih/python/protocol.py", line 101, in genTopParFilename
> raise Exception(mess)
> Exception: genTopParFilename: could not find name protein.par as a structure
> type
> or as file in the current dir, or in TOPPAR
This looks like a missing symlink or file. Please check to make sure that
the symlink xplor-nih-2.25/toppar/protein.par is present and readable on
the node comp12. Please get back to me after you've performed this step
and we'll figure out what to do next.
best regards--
Charles
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.10 (GNU/Linux)
Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/>
iEYEARECAAYFAkuWbYYACgkQPK2zrJwS/lZcpwCdExParr5NIv/Jgs6z5HAiFXu2
KJsAn2WFM1HbWqjeGN8Glez0p6Sw8XZa
=OKvK
-----END PGP SIGNATURE-----
