[AMBER] GPU versions: pmemd.cuda*

From: Yin, Guowei <guowei_yin.med.unc.edu>
Date: Thu, 9 May 2019 15:11:05 +0000

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