Dear Thomas Steinbrecher
What is your mean of serial and parallel test?
I run tutorial A9 in my system without any error and problem.
I attached output of my minimization run to this e-mail
On 2/14/12, steinbrt.rci.rutgers.edu <steinbrt.rci.rutgers.edu> wrote:
> Hi,
>
>>> Both of serial and parallel jobs are ok. I use parallel run for free
>>> energy (TI).
>
> what Dave meant is, do the serial and parallel tests pass without any
> errors? Please post your test logs to make sure. From what I see so far,
> your system does not run even in serial without TI, so the problem is
> likely connected to your prmtop&crd files. Please post the output of your
> minimization run as well.
>
> The run command and input files look ok, but we need to find one simple
> case that definitely works before moving on to parallel TI runs.
>
> Thomas
>
> Dr. Thomas Steinbrecher
> formerly at the
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
>
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Received on Tue Feb 14 2012 - 01:30:01 PST
