Re: [AMBER] AMBER12 build on Linux x86_64

From: Shaw, Sharon <>
Date: Tue, 24 Apr 2012 15:00:37 +0000

Thank you Jason and David.
I don't think I have the order of my steps correct.
Can you verify? I am doing:


./configure intel

sed -i "s.-xHost.-axAVX,SSE4.2,SSE3 -xSSE2.g" ./config.h

sed -i "s.-xHost.-axAVX,SSE4.2,SSE3 -xSSE2.g" ./AmberTools/src/configure2

make clean uninstall >& make.clean.uninstall.out

make install >& make.install.out

This sequence, I still get -xHost in some files, so I'm doing something
out of order, I'm sure.


-----Original Message-----
From: case []
Sent: Monday, April 23, 2012 8:11 PM
To: AMBER Mailing List
Subject: Re: [AMBER] AMBER12 build on Linux x86_64

On Mon, Apr 23, 2012, Jason Swails wrote:

> True enough -- -xHost is set in the configure script and is passed to
> several packages that use autotools (xblas, fftw3, and most likely NetCDF
> and MTK++ as well). The only way to really avoid this is to strike -xHost
> out of the configure script itself. If you use that sed command on
> $AMBERHOME/AmberTools/src/configure, it will never use -xHost anywhere.

For Amber12, edit $AMBERHOME/AmberTools/src/configure2. As Jason points out,
you need to type "make uninstall" in addition to rerunning the configure
script, in order to ensure that all the third party libraries get re-made
as well.


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