Re: [AMBER] pnetcdf.h missing in compiling of ptraj.MPI

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 26 May 2012 12:26:52 +1000

You need to compile pnetcdf somewhere and link it in by modifying a variable in config.h (not sure which one off the top of my head).

Note, we don't support ptraj.MPI anymore, which is why it's not built by default anymore.

I encourage you to look into cpptraj with openmp if you want parallelized trajectory processing.

HTH,
Jason

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On May 26, 2012, at 6:47 AM, Yubo Fan <pengpengtadie.gmail.com> wrote:
> Hello,
> 
> I am trying to compile ptraj.MPI in Amber 12. But pnetcdf.h is
> missing. How can I make it available?
> 
> Thanks,
> Yubo
> 
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Received on Fri May 25 2012 - 19:30:03 PDT