Hello. I was just reading a thread about the use of terachem with amber and
found some numbers comparing the performance of terachem to gaussian, for
qm/mm simulations. The author of the thread described the performance
difference as being 231.65sec using 1GPU for a 164 atoms (ATP,Mg2+, etc)
6-31g/rhf minimization, and 1321.2sec for gaussian running on 4 cores.
I was wondering if anyone has updated numbers regarding the performance of
terachem for qmmm simulations.
Thank you
Fabrício
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Received on Sat Jun 15 2013 - 00:00:02 PDT
