On Sun, Feb 12, 2012, leila karami wrote:
>
> Try a standard run (with ifce=0). what is yor mean? icfe?
Yes, I meant icfe.
>
> When I use nstlim=10, ntpr=1 in input files, job stopped in NSTEP=2.
It is not obvious why your job is stopping after two steps. So you need to
run as many (short) experiments as you can. Try with icfe=0; try using just
two threads (mpirun -np 2). Of course, but sure you are passing the parallel
tests (especially those in $AMBERHOME/test/ti_ggcc, for example). Look at the
ti_ggcc test case, and see if you can spot any differences between what you
are doing and those test cases.
Debugging is mainly a procedure to try to narrow down the cause of the
problem.
...good luck...dac
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Received on Sun Feb 12 2012 - 19:00:02 PST
