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.
Jul 29, 2014
May 21, 2014
|10.12921_cmst.1996.01.01.07-18_Cencek||Jul 29, 2014|