interesting metric

[Jack Howarth]

    I don't know if this benchmark has been discussed here, but mdyn molecular
dynamics benchmark....

http://ftp.cac.psu.edu/pub/ger/fortran/mdyn.f90

...seems to expose a huge performance gap between gfortran and XL Fortran.
Specifically on my dual G5 if I compile mdyn.f90 with gfortran at either
-O3 or -O3 -ffast-math, the program benchmarks at around 121.75 seconds.
On the otherhand, if I compile it with XL Fortran 8.1 beta at -O5, the
resulting binary completes the benchmark in 52.69 seconds. I suspect this
may be a good benchmark to look for bottlenecks with.
              Jack