Phi vs GPU

From: Francesco Pietra (
Date: Wed Feb 04 2015 - 01:52:43 CST


Dismissed the GPUs, I am now faced with nodes made of two Intel Haswell
2.4 GHz CPUs and two Intel Phi 7120p. I would like to hear from first-hand
experience about the use of such stuff for classical MD with the Phi
version of namd2.10, including. of course, the choice of the CPU/Phi ratio.

My question should include McCammon accelMD at no variance, however,
what about replica exchange?

Finally, just my curiosity, is the GPU season already away as far as
computational chemistry is concerned?


francesco pietra

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