HP white paper: Parallel ADF Performance on HP Clusters

Hewlett-Packard (HP), in collaboration with SCM, has run extensive parallel ADF benchmarks up to 128 processes. A Time-Dependent DFT calculation for 30 excitations of a metallophthalocyanine complex (see below) was chosen as a test case.

A range of HP clusters covering different hardware architectures (Itanium2, AMD Opteron, Intel Xeon) and interconnects (Ethernet and Infiniband) were used. The effect of a scratch file system was also studied. The results are summarized in a white paper (PDF file) published by HP.

A paper copy of the white paper is also available upon request.

The Ni-phthalocyanine complex used as a test case.