[Swift-user] Problems in complex mapping situation

Michael Wilde wilde at mcs.anl.gov
Fri Mar 20 14:37:15 CDT 2009


On 3/20/09 11:17 AM, Ben Clifford wrote:
> I've recreated this in a much smaller test case (pretty much whenever 
> multidimensional arrays are used with ext (and probably other mappers)).
> 
> I made what appeared to be an obvious fix but its causing some surprising 
> behaviour in other tests so I haven't committed it. I'll keep playing 
> though.

Great, that would be helpful.

I just tried the concurrent mapper on the real app, and its not going to 
work as easily as I hoped. The underlying app code (the actual "oops" 
executable in this case) is picky about the naming of output files: it 
wants to see a path ending in something like proteinname.pdt (eg 
T1af7.pdt), and will generate several other output files based on that: 
pname.Energy, .lib, .rmsd etc.

The code is brittle and is getting a segfault, I think due to the 
unexpected form of the output filename from the concurrent mapper.

I can try to deal with this in the shell script that wraps the app (or 
the app itself), but the ext mapper solution would also be handy, if 
thats close.





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