Hi Jason,
We have figured it out : Only the parallel version of sander has been compiled on the platform and the native name ˇ°sander.MPIˇ± has been changed as "sander" for convenience. So when I typed "sander" , It was actually the sander.MPI being executed.
After all, thanks for your implying .
-Sun
At 2014-02-24 21:11:13,"Jason Swails" <jason.swails.gmail.com> wrote:
>On Mon, 2014-02-24 at 20:58 +0800, Sun wrote:
>> Hi dac,
>>
>>
>> Thanks for your kindly reply, but I actually did NOT use sander.MPI.
>> the program I used was JUST sander.
>
>Then Amber was not compiled 'properly'. It's certainly possible to have
>a sander executable that is _really_ sander.MPI, but this would indicate
>a non-standard compilation procedure. I suggest recompiling, following
>the instructions in the first chapter of the AmberTools manual.
>
>Without knowing exactly what you did it's impossible to provide any more
>help.
>
>HTH,
>Jason
>
>--
>Jason M. Swails
>BioMaPS,
>Rutgers University
>Postdoctoral Researcher
>
>
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Received on Mon Feb 24 2014 - 06:00:04 PST
