416.gamess
SPEC CPU2006 Benchmark Description

Benchmark Name

416.gamess


Benchmark Author

Gordon Research Group

Department of Chemistry

Iowa State University

Ames, IA 50011


Benchmark Program General Category

Quantum chemical computations


Benchmark Description

A wide range of quantum chemical computations are possible using GAMESS. For a very detailed description, see INTRO.TXT. The benchmark 416.gamess does the following computations for the reference workload:


Input Description

For a detailed description of input files, see INPUT.TXT


Output Description

See INTRO.TXT and PROG.TXT


Programming Language

Fortran


Known portability issues

Uses the following features that are either non-standard or deleted in Fortran 95:

The benchmark 416.gamess source is generated from the original GAMESS by using the 'SEQ' (sequential) directive. So, 416.gamess can only be used for a sequential run and not a parallel run.


References

GAMESS project webpage: http://www.msg.ameslab.gov/GAMESS/GAMESS.html

Introductory Books:

Computational References:

For more references, please see REFS.TXT


Last updated: 7 March 2006