[AMBER-Developers] more pmemd.cuda.MPI issues

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 4 Dec 2010 18:21:18 -0500

Hello,

I ran a GB simulation on NCSA Lincoln using 2 GPUs with a standard nucleic
acid system, and every energy term was ***********. Running in serial, all
results were reasonable. I've attached the mdin, restart, and prmtop files
for this error.

All the best,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032



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Received on Sat Dec 04 2010 - 15:30:03 PST
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