Hello all!
I am using AMBER-14 on NVIDIA Tesla K40 GPU. I got performance of 0.04 ns/day with RuBisCO (PDB ID 1IR2) using DPFP precision (Double Precision Fixed Precision).
Has anyone got better performance? Are there any settings that will help improve performance?
RuBisCO (PDB ID 1IR2) is a 74,916 atom protein system (Ref : David E. Tanner, James C. Phillips, and Klaus Schulten, J Chem Theory Comput. Jul 10, 2012; 8(7): 2521–2530 )
Thanks & Regards
Amit N Harode
TCS INDIA
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Received on Mon Aug 11 2014 - 06:00:04 PDT
