Hi,
Here are we've done to diagnose what's wrong with this environment and nab
PBSA.
1. I found: pbopt struct hasn't been effective, the variables inside that
struct are already forgotten even in the end function of pboptinit();
2. A newbie-level bug of mine should be fixed with this preliminary patch
at: http://dl.dropbox.com/u/174258/NAB_PBSA.patch
However, this doesn't fix the problem we are talking about.
3. If you use 'icc -g' instead of icc in config.h, the problem goes away.
However, replacing '-O3' with '-O0' for both icc and ifort doesn't have
any effect on the problem.
Best,
--
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
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Received on Tue May 04 2010 - 17:00:03 PDT
