What kind of GPU are your running this on?
On Mon, Jul 1, 2013 at 7:47 PM, 涂志萍 <tuzhiping711.gmail.com> wrote:
> Dear all,
> I’m using amber12 pmemd.cuda_SPFP( Version 12.3) to run MD simulation to
> study the protein folding problem. But the running process is always
> terminated soon. There was nothing error in the md2.out. The log.txt
> exports: Nonbond cells need to be recalculated, restart simulation from
> previous checkpoint with a higher value for skinnb.when I restarted it ,
> this happened again after some time.I find the skinnb
> default is 2.0 angstrom,but when I added *&ewald skinnb=3.0d0 / *to the
> md2.in file,this error didn't happen, How does the skinnb value affect the
> motion ?
>
> Any help will be appreciate. Thanks a lot.
>
> Yours
> Tu Zhiping
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Received on Mon Jul 01 2013 - 20:30:02 PDT
