[Beowulf] Quantum Chemistry scalability for large number of processors (cores)
hahn at mcmaster.ca
Wed Sep 26 10:26:10 PDT 2012
forwarding by request:
From: Mikhail Kuzminsky <kus at free.net>
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.
Computer Assistance to Chemical Research Center
Zelinsky Inst. of Organic Chemistry RAS
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