[AMBER] Compare the result between pmemd.cuda and pmemd.mpi?

From: X Sun <egeh00.aol.com>
Date: Mon, 02 Dec 2013 12:11:42 -0600

Dear all,

I am using pmemd to run MD simulation now both on GPU and CPU, depending on which are avaible on the HPC. My advisor asked me to compare the result of GPU and CPU to make sure the result of GPU is relable. The MD simulation is random, so comparing the result of MD simulation is pointless, is there any method for the comparision?




X Sun
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Received on Mon Dec 02 2013 - 10:30:02 PST
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