Porting Applications to the Mp-paragon Supercomputer: the Charmm Molecular Dynamics Program
نویسنده
چکیده
The Paragon MP node ooers increased performance through an extra i860 CPU. The nodes's three i860 CPU's are connected by shared memory meaning that programmers must deal with both shared memory and message passing programming. To help application programmers deal with this added complexity, this paper describes the Paragon MP port of CHARMM (a large molecular dynamics program). A range of issues will be discussed including thread safe loops, optimizing cache utilization, and tuning the code for system communication parameters.
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