Embedded Files
Benchmark settings:
MD program: Gromacs 2020.2
GPU Driver Version: 440.64.00
CUDA Version: 10.2
Force field: AMBER ff99
Water model: TIP3P water
Cutoffs for vdW and Coulomb: 12 Å
PME grid spacing: 1.2 Å
Timestep: 2 fs
Number of CPU cores (-nt option): 12
Benchmark systems:
Trp-cage: 6,545 atoms
Villin HP35: 9,659 atoms
GFP: 27,431 atoms
Hbb: 56,986 atoms
PCNA: 87,768 atoms
PCNA: 288,150 atoms
Computer systems:
RTX 3090 (Air) on AMD Threadripper 3970X in the server room
RTX 2080Ti (Liquid) on AMD Ryzen 3900X desktop in the office
RTX 2080S (Liquid) on AMD Ryzen 3900X desktop in the office
Tesla V100 (Air) on Intel Gold 5118 (dual) in the server room
Quadro RTX 8000 (Air) on AMD Epyc 7742 (dual) in the server room
RTX 2080Ti (Air) on Intel Xeon Gold 6126 (dual) in the server room
GTX 1080Ti (Air) on AMD Threadripper 1950X
AMD 3970X (32 cores)
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