The benchmark sets run on the LRZ platforms were taken from the gmxbench-3.0 package

Serial Benchmarks

Machine CPU/Core Compiler Clock (MHz) Cache (kb) Settings Benchmark (ps/day) Benchmark (MFlop/s)
Type N Villin Lys/Cut Lys/PME DPPC Poly-CH2 Villin Lys/Cut Lys/PME DPPC Poly-CH2
x86/Linux Pentium 4 1 Intel 8.1 3060 512 3.3 dp 7022 1786 1103 118 3451 1191 849 763 580 589
AMD/Linux Dual Opteron 1 Intel 9.0 2400 1024 3.3 dp 7904 2448 1638 164 4637 1405 no res. 1133 no res. 791
AMD/Linux Dual Opteron 1 GCC 4.0.3pre 2400 1024 3.3 dp 7879 2363 1658 156 4701 1373 1130 1147 742 802
AMD/Linux Dual Opteron 1 GCC 4.0.3pre 2400 1024 3.3 sp 12846 3678 2454 254 5890 2179 1750 1697 1245 1005
EM64T/Linux Dual Nocona 1 GCC 4.0.3pre 3200 1024 3.3 dp 7313 2197 1405 133 3503 1273 1050 972 631 598
Itanium/Linux Dual IPF 1 Intel 8.1 1600 3072 3.3 dp 8016 1667 1447 113 4455 1403 815 1013 562 760
Itanium/Linux Dual IPF 1 Intel 8.1 1600 6144 3.3 dp 8290 1504 1491 147 4554 1451 736 1044 732 777
Itanium/Linux Dual IPF 1 Intel 8.1 1600 3072 3.3 sp 9123 1824 1617 153 4566 1735 906 1132 765 779
Itanium/Linux Dual IPF 1 Intel 8.1 1600 3072 3.2.1 dp 5928 1689 1103 103 2232 1019 810 753 501 366
Itanium/Linux Dual IPF 1 Intel 8.1 1600 3072 3.3 dp,
no assembly loops		 2205 668 604 57 2216 386 326 422 283 378
Itanium/Linux 4 Dual-Core Montecito 1 Intel 8.1 1400 12288 3.3 dp 7370 1530 1381 126 4111 1290 748 967 626 701
Notes:
  1. The Opteron version of 3.3 built with icc/ifort produces incorrect MFlop/s numbers for Coulomb [W3]. Hence re-run with a gcc build.

Parallel Benchmark

The DPPC case from above, run in MPI parallel mode.
Machine CPU/Core Compiler / MPI Clock (MHz) Cache (kb) Settings (ps/day) (MFlop/s) Efficiency
Type N DPPC DPPC (%)
Itanium/Linux Quad IPF 1 Intel 8.1 / Parastation MPICH Myrinet 1300 3072 3.3 dp 95 0.47 100
Itanium/Linux Quad IPF 2 Intel 8.1 / Parastation MPICH Myrinet 1300 3072 3.3 dp 180 0.90 95
Itanium/Linux Quad IPF 4 Intel 8.1 / Parastation MPICH Myrinet 1300 3072 3.3 dp 264 1.31 69
Itanium/Linux Quad IPF 8 Intel 8.1 / Parastation MPICH Myrinet 1300 3072 3.3 dp 403 2.00 53
Itanium/Linux Quad IPF 16 Intel 8.1 / Parastation MPICH Myrinet 1300 3072 3.3 dp 619 3.08 41
Itanium/Linux Quad IPF 32 Intel 8.1 / Parastation MPICH Myrinet 1300 3072 3.3 dp 885 4.41 29
Itanium/Linux Dual IPF 1 Intel 8.1 / Parastation MPICH GE 1600 3072 3.3 dp 112 0.56 100
Itanium/Linux Dual IPF 2 Intel 8.1 / Parastation MPICH GE 1600 3072 3.3 dp 199 0.99 88
Itanium/Linux Dual IPF 4 Intel 8.1 / Parastation MPICH GE 1600 3072 3.3 dp 280 1.39 62
Itanium/Linux Dual IPF 8 Intel 8.1 / Parastation MPICH GE 1600 3072 3.3 dp 428 2.13 48
Itanium/Linux Dual IPF 16 Intel 8.1 / Parastation MPICH GE 1600 3072 3.3 dp 585 2.91 32
Itanium/Linux Dual IPF 32 Intel 8.1 / Parastation MPICH GE 1600 3072 3.3 dp 778 3.88 22
Itanium/Linux Altix 3700 1 Intel 9.0 / MPT 1600 6144 3.3.1 dp 157 0.78 100
Itanium/Linux Altix 3700 2 Intel 9.0 / MPT 1600 6144 3.3.1 dp 298 1.48 95
Itanium/Linux Altix 3700 4 Intel 9.0 / MPT 1600 6144 3.3.1 dp 472 2.35 75
Itanium/Linux Altix 3700 8 Intel 9.0 / MPT 1600 6144 3.3.1 dp 792 3.72 60
Itanium/Linux Altix 3700 16 Intel 9.0 / MPT 1600 6144 3.3.1 dp 1286 6.40 51
Itanium/Linux Altix 3700 32 Intel 9.0 / MPT 1600 6144 3.3.1 dp 2057 10.26 41
Itanium/Linux Altix 4700 1 Intel 9.0 / MPT 1600 6144 3.3.1 dp 158 0.79 100
Itanium/Linux Altix 4700 2 Intel 9.0 / MPT 1600 6144 3.3.1 dp 294 1.46 92
Itanium/Linux Altix 4700 4 Intel 9.0 / MPT 1600 6144 3.3.1 dp 467 2.32 73
Itanium/Linux Altix 4700 8 Intel 9.0 / MPT 1600 6144 3.3.1 dp 760 3.78 60
Itanium/Linux Altix 4700 16 Intel 9.0 / MPT 1600 6144 3.3.1 dp 1185 5.90 47
Itanium/Linux Altix 4700 32 Intel 9.0 / MPT 1600 6144 3.3.1 dp 2047 10.21 40
Itanium/Linux Altix 4700 64 Intel 9.0 / MPT 1600 6144 3.3.1 dp 2717 13.58 27