Early AMBER8 PMEMD bench with AltiVec wrapper.

(originally posted on 05/19 18:32)
(updated 05/22) Added single precision modification version with vecLib support!
(updated 05/20) Finally I realized that I didn't successfully link to vecLib for PMEMD. We will see if we can do it later.

  =============================================================================
  "jac" == Joint Amber/Charrm DHFR benchmark.  This is the protein DHFR,
  solvated with TIP3 water, in a periodic box.  There are 23,558 total atoms,
  and PME used with a direct space cutoff of 9 Ang.  This is the benchmark
  in benchmarks/jac subdirectory of the Amber 8 distribution.  Results
  here are for pmemd.

  --------------------------------------------------------------------------------
  name   date      CPU              OS         compiler  npcu    ps per day
  --------------------------------------------------------------------------------
bluefish 12/03 SGI Origin 3800                  f90      2        115
  loyd    4/04 2.4 Ghz PIV Xeon   RH 9          ifc8     2        210
  apple   5/04   2 Ghz G5        MacOS X 10.3   xlf8.1   2        293 (double)
  apple   5/21   2 Ghz G5        MacOS X 10.3   xlf8.1   2        324 (single)
 unc/duke 4/04 3.2 GHz PIV Xeon  RH E3smp       ifc7     2        330
  apple   5/21   2 Ghz G5        MacOS X 10.3   xlf8.1   2        344 (single)*
  yt      2/04 altix/itanium 1.3GHz linux       ifort8   2        465

Notice:
1. single precision means partial of the variables in short_ene are real*4.
2. G5 results were pmemd results.
3. *: altivec was used.
4. 2 cpu results were done with LAM/MPI library.