See the section on Accuracy Considerations on this page
http://ambermd.org/gpus16/index.htm
Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Web: http://www.agarwal-lab.org/
On 5/9/2019 11:11 AM, Yin, Guowei wrote:
Hello,
I want to use the GPU versions and find there are a number of different versions available as below. What do the SPXP and DPFP mean? How to choose?
pmemd.cuda pmemd.cuda_DPFP.MPI pmemd.cuda_SPFP pmemd.cuda_SPXP
pmemd.cuda_DPFP pmemd.cuda.MPI pmemd.cuda_SPFP.MPI pmemd.cuda_SPXP.MPI
Thank you,
Guowei
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Received on Thu May 09 2019 - 08:30:02 PDT
