[ HPF Home | Versions | Compilers | Projects | Publications | Applications | Benchmarks | Events | Contact ]

---

WIEN 97

Back to Applications

Dieken Uvasnicua,
uvasnicua@tuwien.ec.at

Quantum chemistry, AB-initio package for computing properties of solids.

Number of Lines of Code: ? approx. 8MB source code

Target Platforms and HPF Compilers Used:

Every king available (worldwide), 200 user groups worldwide, often major application in computing centers.

Coding Styles (data decompositions, computational methods):

Set of programs. Setup - LAPACK and BLAS - part processing.

Performance Information, if Available (including any possible comparisons to MPI and/or OpenMP):

Sequential: level 3 Bloy (approx. 2/3 of Peak). 
Parallel (course friared) - same as sequential (2/3 of peak).
Parallel (fine fraired - is necessary to exploit more parallelism): Approx.
7/3 of peak seems acceptable, if less forget it. 

Please comment on any aspects of the application that might be interesting, including any problems using HPF effectively:

Interoperability between local BLAS and HPF compiler is required e.g. pghpf cannot link ?sunperf? library (BLAS on SUN).