[AMBER] [mdout_analyzer.py] Problem with OS X El Capitan

From: Eiros Zamora, Juan <j.eiros-zamora14.imperial.ac.uk>
Date: Mon, 31 Oct 2016 12:09:27 +0000

Dear Amberists,

I’m using mdout_analyzer.py to read an mdout file, and I see some warnings and errors and I was hoping you could help me figure out what’s wrong. First, when I call the program, I get the following warnings (but the GUI opens just fine):

/Users/je714/anaconda3/lib/python3.5/site-packages/matplotlib/__init__.py:461: UserWarning: matplotlibrc ps.usedistiller can not be set to xpdf unless xpdf-3.0 or later is installed on your system
  'your system') % pdftops_req)
objc[17603]: Class TKApplication is implemented in both /System/Library/Frameworks/Tk.framework/Versions/8.5/Tk and /Users/je714/anaconda3/lib/libtk8.5.dylib. One of the two will be used. Which one is undefined.
objc[17603]: Class TKMenu is implemented in both /System/Library/Frameworks/Tk.framework/Versions/8.5/Tk and /Users/je714/anaconda3/lib/libtk8.5.dylib. One of the two will be used. Which one is undefined.
objc[17603]: Class TKContentView is implemented in both /System/Library/Frameworks/Tk.framework/Versions/8.5/Tk and /Users/je714/anaconda3/lib/libtk8.5.dylib. One of the two will be used. Which one is undefined.
objc[17603]: Class TKWindow is implemented in both /System/Library/Frameworks/Tk.framework/Versions/8.5/Tk and /Users/je714/anaconda3/lib/libtk8.5.dylib. One of the two will be used. Which one is undefined.

I can chose any item in the ‘Select Data to Analyze’ list and click on 'Show Statistics’ or ’Save to File', for example. But when I try to plot them with the ‘Graph Them!’, ‘Histogram Data’ or ‘Autocorrelation’, ‘Running Average’ or ‘Cumulative Running Average' buttons, I first get this error:

Exception in Tkinter callback
Traceback (most recent call last):
  File "/Users/je714/anaconda3/lib/python3.5/site-packages/matplotlib/backends/tkagg.py", line 22, in blit
    id(data), colormode, id(bbox_array))
_tkinter.TclError: invalid command name "PyAggImagePhoto"

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/Users/je714/anaconda3/lib/python3.5/tkinter/__init__.py", line 1550, in __call__
    return self.func(*args)
  File "/usr/local/amber16/lib/python3.5/site-packages/mdoutanalyzer/widgets.py", line 91, in new_fcn
    return fcn(self)
  File "/usr/local/amber16/lib/python3.5/site-packages/mdoutanalyzer/widgets.py", line 63, in new_fcn
    if fcn(self, newfig, ax, self.graph_props.nexcl()) == 1:
  File "/usr/local/amber16/lib/python3.5/site-packages/mdoutanalyzer/widgets.py", line 469, in execute
    fig.show()
  File "/Users/je714/anaconda3/lib/python3.5/site-packages/matplotlib/backends/backend_tkagg.py", line 355, in draw
    tkagg.blit(self._tkphoto, self.renderer._renderer, colormode=2)
  File "/Users/je714/anaconda3/lib/python3.5/site-packages/matplotlib/backends/tkagg.py", line 30, in blit
    id(data), colormode, id(bbox_array))
_tkinter.TclError

Then an empty window titled ‘Mdout Analyzer’ pops up. I can then close it, and re-click any of the buttons, followed by a close down of the program with the following error:

python(17641,0x7fff79860000) malloc: *** error for object 0x100c21cd0: pointer being freed was not allocated
*** set a breakpoint in malloc_error_break to debug
Abort trap: 6


I’m not familiar with the tkinter module so I’m not too sure what’s going wrong.

My Mac is running on OS X El Capitan Version 10.11.6, my Python is Python 3.5.2 :: Anaconda 4.0.0 (x86_64), here (http://lpaste.net/raw/5192122385733517312) is the result of conda list command (I’m running mdout_analyzer.py on my root environment), result of uname -a command is: Darwin ch-knuth.ch.ic.ac.uk<http://ch-knuth.ch.ic.ac.uk> 15.6.0 Darwin Kernel Version 15.6.0: Mon Aug 29 20:21:34 PDT 2016; root:xnu-3248.60.11~1/RELEASE_X86_64 x86_64.

Please let me know if you need more information to replicate this error,

Thanks for any comments,

Juan Eiros




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Received on Mon Oct 31 2016 - 05:30:03 PDT
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