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. Author manuscript; available in PMC: 2024 Feb 6.
Published in final edited form as: J Phys Chem B. 2023 Dec 28;128(1):109–116. doi: 10.1021/acs.jpcb.3c06662

Table 1.

The speed of the OpenCL and HIP platforms simulating three benchmark systems on an AMD V620 GPU. All benchmarks used Langevin dynamics with a 4 fs time step, constraining the lengths of bonds involving hydrogen.

Molecule Atoms OpenCL (ns/day) HIP (ns/day)
DHFR 23,558 417 1031
ApoAl 92,224 192 393
Cellulose 408,609 42 91