This is getting more appropriate for the aria mailing list
https://groups.yahoo.com/neo/groups/aria-discuss/info
but from the traceback, it looks as if that example is set to use condor as the job manager (one of the HPC/GRID job managers). This is unlikely to be appropriate if you're just trying to run the calculations on your local machine or network.
My current versions of ARIA (up to 2.3.2b) don't show the condor switch in the GUI, but maybe the grid one does. In any case, the ARIA project .xml file is not too scary to edit with a text editor.
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089
https://www.gla.ac.uk/researchinstitutes/biology/research/structuralbiologybiophysicalcharacterisationfacility/
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From: CcpNmr software mailing list [[log in to unmask]] on behalf of Francisco Conejero-Lara [[log in to unmask]]
Sent: 08 May 2019 13:37
To: [log in to unmask]
Subject: Re: Error running ARIA 2.3 with ccpn
Thank you Brian. After installing the patches ARIA starts OK. I am testing the installation with an example project provided at ARIA site.
However, it stops now during the first interation of the calculation with the following message:
MESSAGE [CNS]: CNS output files have been copied to /Users/conejero/Aria/nilges/
example/tudor/run1/structures/it0/cns
MESSAGE [Job manager]: shutdown.
Traceback (most recent call last):
File "/Applications/ccpnmr/aria2.3/aria2.py", line 903, in <module>
verbose_level, use_condor=condor)
File "/Applications/ccpnmr/aria2.3/aria2.py", line 813, in run_aria
project.go(use_condor)
File "/Applications/ccpnmr/aria2.3/src/py/aria/Project.py", line 1666, in go
self.run_protocol(first_iteration)
File "/Applications/ccpnmr/aria2.3/src/py/aria/Project.py", line 1672, in run_protocol
last_iteration = self.getProtocol().go(iteration, self.getMolecule())
File "/Applications/ccpnmr/aria2.3/src/py/aria/Protocol.py", line 1841, in go
iteration = self.start(iteration, molecule)
File "/Applications/ccpnmr/aria2.3/src/py/aria/Protocol.py", line 1825, in start
return self.run_protocol(molecule, iteration)
File "/Applications/ccpnmr/aria2.3/src/py/aria/Protocol.py", line 2300, in run_protocol
is_first_it)
File "/Applications/ccpnmr/aria2.3/src/py/aria/Protocol.py", line 2255, in run_iteration
self.error(StandardError, err_msg)
File "/Applications/ccpnmr/aria2.3/src/py/aria/ariabase.py", line 211, in error
raise exception, msg
StandardError: USER ERROR <aria.Protocol.Protocol> File "/Applications/ccpnmr/aria2.3/src/py/aria/Protocol.py", line 2300 in run_protocol
Structure calculation failed for structure 1.
Structure calculation failed for structure 2.
Structure calculation failed for structure 3.
Structure calculation failed for structure 4.
Structure calculation failed for structure 5.
Structure calculation failed for structure 6.
Structure calculation failed for structure 7.
Structure calculation failed for structure 8.
Structure calculation failed for structure 9.
Structure calculation failed for structure 10.
Please check your setup and the CNS output files for errors.
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