This is probably wildly inaccurate and out of date but might be a good place to start :)
http://en.wikipedia.org/wiki/Quantum_chemistry_computer_programs Let the benchmarks begin!!! 2012/9/26 Mark Hahn <[email protected]>: > forwarding by request: > > From: Mikhail Kuzminsky <[email protected]> > > Do somebody know any modern references to data about parallelization > efficiency > of quantum-chemical codes for clusters or MPP systems w/high number of > processors/cores ? Data about most popular methods > like DFT or MP2 are preferred. > > The last data I looked (for MP2) where for ASCI White w/2000 cpus. > > Mikhail Kuzmisnky > Computer Assistance to Chemical Research Center > Zelinsky Inst. of Organic Chemistry RAS > Moscow > _______________________________________________ > Beowulf mailing list, [email protected] sponsored by Penguin Computing > To change your subscription (digest mode or unsubscribe) visit > http://www.beowulf.org/mailman/listinfo/beowulf _______________________________________________ Beowulf mailing list, [email protected] sponsored by Penguin Computing To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf
