Re: [AMBER] Building distributable executable

From: Scott Brozell <>
Date: Wed, 17 May 2017 12:21:59 -0400

On Wed, May 17, 2017 at 08:52:30AM -0400, David Case wrote:
> On Tue, May 16, 2017, D'Auria, Raffaella wrote:
> >
> > While trying to build Amber 16 with the intel compiler I realized
> > that the xHost flag is now sprinkled in many configure files and
> > makefiles. Since I need to build an executable that will run across
> > different processors (on a heterogeneous cluster) the xHost flag is a
> > problem (since it will generate a processor-specific executable). Is
> > there any option that will allow me to get rid of it without having to
> > edit any config/makefile where xHost may be?
> Can you be more specific? The xHost flag should only be in the single
> config.h created by the configure script (which actually calls
> AmberTools/src/configure2 to do the real work.) Note that a couple of
> other "config.h" scripts are just links to the master one, so that editing
> the config.h in $AMBERHOME changes all of them.
> Bottom line: you *should* be able to just hand-edit $AMBERHOME/config.h to
> remove the xHost invocations after the ./configure step but before the
> "make install" step. It's certainly worth a try.
> You mention that xHost shows up in Makefiles as well, but I don't readily see
> that, but I haven't examined every one. Try the suggestion above, and let us
> know details of what (if anything) goes wrong.

In the repo amber tree, I grepped all 368 Makefiles and all 701 *akefile*
files - no xhost, ignoring case, in any of them.

One file that is not used in most (all?) situations has an -march:
./AmberTools/src/gleap/freelib/gtkglext/examples/Makefile.mingw:15:OPTIMIZE = -march=pentium -O2

There are 11 config.h files. But as Dave indicated ./config.h
is the only one that should matter.
There is 1 that hard codes xhost,
but that file is not used and probably should be removed:


A Unix operating system is an awesome tool.
When it comes to finding things in textual files, some of the greatest
programmers of all time (several of them Turing award winners), have
created softwares (and textbooks) that are still the best tools.
Learn find and grep.

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Received on Wed May 17 2017 - 09:30:02 PDT
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