Hi Alan
I recently tried to use the CCPNGrid to run an Aria calculation, it failed
on it8. Here is the traceback from the log file.
Traceback (most recent call last):
File "/scratch/ccpngrid/aria2.2/aria2.py", line 865, in ?
verbose_level, use_condor=condor)
File "/scratch/ccpngrid/aria2.2/aria2.py", line 784, in run_aria
project.go(use_condor)
File "/scratch/ccpngrid/aria2.2/src/py/Project.py", line 1418, in go
self.run_protocol(first_iteration)
File "/scratch/ccpngrid/aria2.2/src/py/Project.py", line 1424, in run_protocol
last_iteration = self.getProtocol().go(iteration, self.getMolecule())
File "/scratch/ccpngrid/aria2.2/src/py/Protocol.py", line 1574, in go
iteration = self.start(iteration, molecule)
File "/scratch/ccpngrid/aria2.2/src/py/Protocol.py", line 1558, in start
return self.run_protocol(molecule, iteration)
File "/scratch/ccpngrid/aria2.2/src/py/Protocol.py", line 2031, in
run_protocol
self.writeReports(iteration)
File "/scratch/ccpngrid/aria2.2/src/py/Protocol.py", line 1446, in
writeReports
self.dumpIteration(iteration)
File "/scratch/ccpngrid/aria2.2/src/py/Protocol.py", line 1165, in
dumpIteration
self._dump_ccpn(iteration, path)
File "/scratch/ccpngrid/aria2.2/src/py/Protocol.py", line 966, in _dump_ccpn
aria_chain=aria_chain)
File "/scratch/ccpngrid/aria2.2/src/py/exportToCcpn.py", line 195, in
getChainsFromAria2
chain0 = findMatchingChain(molSystem, sequence, excludeChains=chains)[0]
File
"/scratch/ccpngrid/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/MoleculeBasic.py",
line 214, in findMatchingChain
File
"/scratch/ccpngrid/ccpnmr/temporaryReleaseDir/ccpnmr/ccpnmr1.0/python/memops/gui/MessageReporter.py",
line 82, in showYesNo
File
"/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/tkMessageBox.py",
line 105, in askyesno
s = _show(title, message, QUESTION, YESNO, **options)
File
"/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/tkMessageBox.py",
line 75, in _show
res = Message(**options).show()
File
"/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/tkCommonDialog.py",
line 48, in show
w = Frame(self.master)
File "/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py",
line 2375, in __init__
Widget.__init__(self, master, 'frame', cnf, {}, extra)
File "/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py",
line 1856, in __init__
BaseWidget._setup(self, master, cnf)
File "/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py",
line 1831, in _setup
_default_root = Tk()
File "/scratch/ccpngrid/ccpnmr/python2.4/lib/python2.4/lib-tk/Tkinter.py",
line 1569, in __init__
self.tk = _tkinter.create(screenName, baseName, className, interactive,
wantobjects, useTk, sync, use)
_tkinter.TclError: no display name and no $DISPLAY environment variable
Also, a minor problem I had was that I was trying to read in peaklists and
the naming system it offered was slightly confusing, they all began with the
prefix "temp" and it was quite hard to work out which was the one I wanted.
Cheers
Ben
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