CCL: MD software question.
- From: Andrew Fant <fant[#]pobox.com>
- Subject: CCL: MD software question.
- Date: Sun, 29 Jan 2006 17:49:46 -0500
Sent to CCL by: Andrew Fant [fant]_[pobox.com]
Mrcel and James both made good points that I won't bother duplicating
here. One
other thing to bear in mind is that while the math(s) involved in MD is
relatively straightforward, doing it efficiently usually isn't. Even
in
single-threaded code, there are a whole constellation of
tricks/shortcuts/advanced techniques that can make things go much
faster (an
order of magnitude or more) compared to what a naive undergrad might
achieve
left to their own devices. And when you get into parallel processing,
it
becomes even more hairy.
Andy
--
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