Dear Crystallographers,
I have been running three MR jobs concurrently, one MrBump and two Phasers, but things have not only slowed to a snail's pace but also the GUI has locked up, meaning I cannot click on anything to see what's happening. I've looked at the log files manually, however, and the jobs are still adding to the log files, albeit quite slowly.
-The MrBump job was going very slowly, and I was able to kill it last night. It currently appears as killed on the gui, but the CCP4_session_log file still thinks it's running, although in the task manager there is no indication of this. Also its own log file shows it's terminated. I put the tail of this below.
-It seems Phaser has gone into compulsively-deep mode, and is therefore very slow.
-I am not sure why having heavy jobs should kill the gui--that seems pretty weird.
So the question--is there any way to wake up the GUI, or do I have to resort to killing it, and possibly have to re-run these long jobs? If I do kill it, will the information be lost, or could I resume at roughly the same place? I would just let it run over the weekend, but there's other stuff I would like to get going as well.
All the best,
Jacob Keller
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Jacob Pearson Keller, PhD
Looger Lab/HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
email: [log in to unmask]
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* Information from CCP4Interface script
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The program run with command: C:/CCP4/6.5/bin/ccp4-python.bat -u C:/CCP4/6.5/bin/mrbump HKLIN D:/CRYSTAL/CamPepA33Redo/ThreeSets_p3_scaled1.mtz SEQIN D:/CRYSTAL/CamPepA33Redo/Nlobe.seq HKLOUT D:/CRYSTAL/CamPepA33Redo/REDOscratch/ThreeSets_p3_scaled1_mrbump_soln1.mtz XYZOUT D:/CRYSTAL/CamPepA33Redo/REDOscratch/ThreeSets_p3_scaled1_mrbump_soln1.pdb KEYIN C:/ccp4temp/REDO_18_1_com.tmp
has failed with error message
Traceback (most recent call last):
File "C:/CCP4/6.5/bin/mrbump", line 109, in <module>
master.runMR(init, target_info, mstat, queue)
File "C:\CCP4\6.5\share\mrbump\include\initialisation\MRBUMP_master.py", line 695, in runMR
MR.MR_start(target_info, init, mstat, init.keywords.QSIZE, None)
File "C:\CCP4\6.5\share\mrbump\include\mr\MRBUMP_MR.py", line 608, in MR_start
best.write_results_log(init, mstat)
File "C:\CCP4\6.5\share\mrbump\include\output\MRBUMP_writebest.py", line 138, in write_results_log
self.report += " SHELXE CC: %.3f\n" % mstat.model_list[MODEL_SOURCE].shelxe_molrep_CCscore
TypeError: float argument required, not NoneType
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#CCP4I TERMINATION STATUS 0 "Traceback (most recent call last): File "C:/CCP4/6.5/bin/mrbump", line 109, in <module> master.runMR(init, target_info, mstat, queue) File "C:\CCP4\6.5\share\mrbump\include\initialisation\MRBUMP_master.py", line 695, in runMR MR.MR_start(target_info, init, mstat, init.keywords.QSIZE, None) File "C:\CCP4\6.5\share\mrbump\include\mr\MRBUMP_MR.py", line 608, in MR_start best.write_results_log(init, mstat) File "C:\CCP4\6.5\share\mrbump\include\output\MRBUMP_writebest.py", line 138, in write_results_log self.report += " SHELXE CC: %.3f\n" % mstat.model_list[MODEL_SOURCE].shelxe_molrep_CCscore TypeError: float argument required, not NoneType"
#CCP4I TERMINATION TIME 07 Jul 2015 20:45:38
#CCP4I TERMINATION OUTPUT_FILES D:/CRYSTAL/CamPepA33Redo/REDOscratch/search_18
#CCP4I MESSAGE Task failed
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