[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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