Re: [AMBER] regarding running Nudged Elastic Band Approach with amber10

From: Jason Swails <>
Date: Wed, 21 Apr 2010 08:10:58 -0400

On Tue, Apr 20, 2010 at 11:12 PM, jani vinod <> wrote:

> Hello
> I have already compiled amber version and its working fine
> so I tried to recompile sander with -DLES option
> i followed following steps
> cd $AMBERHOME/src/sander
> make clean
> make parallel AMBERBUILDFLAGS=’-DLES’ sander

This command looks slightly weird to me... I believe what it's doing is
installing in parallel and then trying again to install just serial
sander... Try the following instead (if you're trying to compile

cd $AMBERHOME/src/sander
make clean

However, sander.LES.MPI should be compiled by default by a "make parallel"
in $AMBERHOME/src directory, so perhaps you can try this approach instead.

Good luck!

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
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Received on Wed Apr 21 2010 - 05:30:04 PDT
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