have the test cases passed? is the job still getting CPU time? do you get
any output at all?
On Mon, Mar 29, 2010 at 3:53 PM, Yang Li <chlorin316.hotmail.com> wrote:
>
> Hi, Dr. Case,
>
> Thank you for you recommendations. I checked and my prmtop was
> periodic and solvated. I tried to run a 10 step simulation, here is my
> input file.
>
> DNA 12-ATmer simulation under 100atm
> &cntrl
> imin = 0, irest = 1,
> igb = 0, ntx = 5,
> ntt = 3, gamma_ln = 1.0,
> tempi = 300.0, temp0 = 300.0
> ntp = 1, taup = 2.0, pres0 = 100,
> ntb = 2, ntc = 2, ntf =2,
> nstlim = 10, dt = 0.01
> ntwx = 1, ntpr =1
> cut = 12.0
> /
>
>
> However, the simulation has run for the entire weekend again and did
> not finish on the 3G processor.
>
> Please let me know what I can do.
>
>
> With regards,
>
> Yang
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Received on Mon Mar 29 2010 - 13:00:04 PDT
