May 2019
Intermediate to advanced
452 pages
12h 16m
English
Though molecular dynamics is dominated by single precision, double precision is useful in force accumulation calculations in molecular dynamics.
Double precision accuracy is very important in the field of quantum chemistry.
Even when capped at a 1:4 ratio, a dual 2x AMD Radeon VII setup is still less than half price ($1,400 USD) compared to a single $3,000 USD Titan V; this will greatly motivate small independent researchers.
At $700 USD, single GPU (Radeon VII) owners can get another one and have access to 32 GB of video memory. Even 2x Titan Vs ($6,000 USD) would still be 24 GB. That extra 8 GB means a lot for managing simulation and modeling data!
Finally, ...
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