Title:

The Role of Efficient Programming in Theoretical Chemistry and Physics Problems

Creator:

Cencek Wojciech

Abstract:

Various aspects of efficient programming of high-performance computer systemsare discussed, using an example from modern electronic structure theory. It isshown that efficient programming is indispensable in today's theoretical studies byreducing drastically involved computer time. Timings from our quantum chemicalprogram CORREL are given for several platforms ranging from Cray Y-MP EL toPC/486.

Place of publishing:

Poznań

Publisher:

OWN

Resource Type:

artykuł

Format:

application/pdf

Language:

eng