Molecular dynamics benchmark data available on WWW

furio ercolessi (
27 Nov 1994 17:51:14 GMT

I have made all the material relative to the MDBNCH molecular dynamics
benchmark accessible on the World Wide Web at the URL address

including the latest results table, source and documentation.
This page is also already pointed by the EPFL benchmark page at .

MDBNCH is written in (strict) Fortran 77, it is floating-point
dominated, and it is characterized by an irregular memory access
pattern (due to the use of neighbor lists to deal with short-range
atomic interactions) which makes it rather sensitive to the behavior
of cache memory systems.

MDBNCH is around since 1988, and about 70 machines have been listed in
the results table so far. Running it is fairly easy and new data
would be welcome.

Furio Ercolessi
SISSA, Trieste, Italy or