Re: [AMBER] GPU versions: pmemd.cuda*

From: Pratul Agarwal <>
Date: Thu, 9 May 2019 15:17:08 +0000

See the section on Accuracy Considerations on this page

Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)

On 5/9/2019 11:11 AM, Yin, Guowei wrote:


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,
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Received on Thu May 09 2019 - 08:30:02 PDT
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