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.
-Nat On Mon, Jun 7, 2010 at 7:47 AM, Kevin Cowtan <cow...@ysbl.york.ac.uk> wrote: > 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 multitasking limitations. Both of those problems > will go away with GPU features integrated onto the CPU. At that point the > level of work required to implement it will drop significantly, and the > range of application of the technology will increase significantly. So I'm > waiting for now. > > > Zhou, Tongqing (NIH/VRC) [E] wrote: > >> >> >> 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/NIH >> >> Building 40, Room 4607B >> >> 40 Convent Drive, MSC3027 >> >> Bethesda, MD 20892 >> >> (301) 594-8710 (Tel) >> >> (301) 793-0794 (Cell) >> >> (301) 480-2658 (Fax) >> >> */******************************************************************/*/ / >> >> */The information in this e-mail and any of its attachments is >> confidential and may contain sensitive information. It should not be used by >> anyone who is not the original intended recipient. If you have received this >> e-mail in error please inform the sender and delete it from your mailbox or >> any other storage devices. National Institute of Allergy and Infectious >> Diseases shall not accept liability for any statements made that are >> sender's own and not expressly made on behalf of the NIAID by one of its >> representatives. /* >> >> */******************************************************************/* >> >> >> >
