Most of what Kevin says applies equally well to Phenix - refinement is a
relatively complex series of calculations, much less inherently parallel
than what VMD is using GPUs for. There are many other things we could do to
speed up calculations that would probably be more useful and more effective.
I looked at it and concluded that our FFTs are on the whole too short
for it to be worthwhile, and a lot of calculations aren't FFT bound
anyway. An awful lot of our stuff is simply not very slow.
Also, GPU computing at the moment is crippled for many problems by the
bandwidth bottleneck and m
Hi All,
I am wondering anyone is looking into GPU computing on structural refinement? I
see VMD supports GPU computing already, how about other programs such as CCP4
and Phenix
Thanks,
Tongqing
Tongqing Zhou, Ph.D.
Staff Scientist
Structural Biology Section
Vaccine Research Center, NIAID
