[gmx-developers] Benchmark Results Clarification

[Josh Hursey]

I am working with a research group attempting to replicate the
(normalized versions) of you results posed on the gromacs site. We are
falling short of the ps/day that you have posted.

To ensure that we are running a close setup to the environment in which
your tests were ran, Could you provide us with some additional information
that I could not find on the website.

We are running:
  Cluster 1:
    Dual Pentium III (Katmai) 497 MHz 512 KB L2 Cache
    512 MB S-DRAM
    100 MB Switched environment
    Linux version 2.4.7-10smp
    gcc version 2.96
    Red Hat Linux 7.1 2.96-98
  Cluster 2:
    Dual PowerPC G4 7455, altivec supported 999MHz 256K L2 cache
    2 MB at 4 GBps
    1 GB DDR SDRAM
    1 GB switched Environment
    Linux version 2.4.20-8d
    gcc version 3.2.2
    Yellow Dog Linux 3.0 3.2.2-2a

1) What FFTW configuration options were used on the install?

2) What Gromacs compiler options were used on the install?

3) What hardware/networking environment were the benchmarks ran under?

4) Are the MPI tests ran so that a MPI run with 2 processes are run on one
dual processor node or on 2 different nodes?
   (e.g.
     2 processes = 1 node with 2 processors
     or
     2 processes = 2 nodes with 2 processors
   )

Thank you for your help!

Peace,

Josh Hursey
Earlham College