Dear experts,
I have recently purchased a new machine with NVIDIA RTX A5000, and when I compare the performance (identical system) with my older machine with GeForce RTX 2080 Ti, the improvement is just about 20% ns x day. My system of 143727 atoms runs about 140ns / day for the 2080Ti and 170ns for the A5000 (both with dt=0.004)
Is that a reasonable performance?
I compiled with the cmake defaults (after some tweaks and some work I have to say), is there a better way to compile cuda 11.04 with pmemd.cuda that will run faster?
Thanks a lot!
Fabian
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Fabian Glaser, PhD
Structural and Computational Biology Unit
The Lorry I. Lokey Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa, Israel
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Received on Tue Apr 05 2022 - 06:30:03 PDT
