cp2k speedup on multicore machines

cavallo lcav... at unisa.it
Wed Jan 30 15:23:54 UTC 2008


Dear all,

these are the final benchmarks on the following machine.
HP proliant dl140 with dual-core Intel Xeon CPU 5160  @ 3.00GHz .
kernel 2.6.21-1.3194.fc7
gcc version 4.1.2 20070925 (Red Hat 4.1.2-27)
ifort Build 20070613 Package ID: l_fc_c_10.0.025
intel mkl 10.0.1.014
fftw-3.1.2
mpich2-1.0.6p1

These are with inputs from cp2k/tests/QS/benchamrks, no changes
               h2o-32.inp         h2o-64.inp         h2o-256.inp
              secs                  secs                 secs
1 cores    908   1.00         2347    1.00       27518     1.00
2 cores    511  1.78          1286    1.83       16526     1.66
4 cores    329  2.76            863    2.72       16311     1.68

These are the results for the 64w test with Teo speedup tips (see
above)
1 cores    1229  1.00
1 cores      671  1.83
1 cores      663  1.85

During the next days I'll try to run the same tests with OpenMPI.
Ciao,
Luigi



More information about the CP2K-user mailing list