Dear all,
After I managed to get SCALI to work with AMBER8, I found I can't use
more than 4 CPUs for one of my systems (80,000 atoms), but it worked
fine with a regular DNA test case (10 base pairs). It failed because of
"partition error in shake". Before I dive into shake.f, I wonder if
anyone has a quick guess what might be the problem. Thanks in advance.
Regards,
Guanglei
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Received on Fri Apr 23 2004 - 16:53:00 PDT
