[3dem] GPU workstation guide ver. 2017

[Shintaro Aibara]

Dear Friends and Colleagues,

On this fine day of the Nobel Lecture for Chemistry 2017, as well as the
announcement of the new Titan V graphics cards, we thought it may be of
interest for you to hear about some of our latest series of findings with
the GPU workstations using hardware released in 2017.

Please note that we have used equipment that we have purchased and have
access to, and therefore the document does not represent a completely
exhaustive investigation.

Notably our findings indicate that:

- A large proportion of GPU-relion is still CPU bound, and it probably does
not make financial sense to upgrade your GPUs on every new release.

- There are still optimizations to be had in the code to fully utilize the
horsepower of the GPUs, leading to the above result

- CPU choice is therefore just as important as GPU choice. In our tests we
have found that the AMD Threadripper 1950X to be a fairly good performer.

Best wishes,
Shintaro Aibara

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