Re: [AMBER] Building distributable executable

From: D'Auria, Raffaella <>
Date: Thu, 18 May 2017 01:05:47 +0000


Thanks for all the feebacks.

-xHost is indeed present solely in:


the reason why in my case it had popped up in Makefiles was because I had run configure before removing the xHost flag (and even after issuing ‘make clean’ and ‘make realclean' it had persisted in several locations).

After starting afresh in a newly unpacked directory, removing -xHost from the three files mentioned above was all that I needed to do.

I now have a new question I have noticed that if I have $MKL_HOME set up in my environment it conflicts with the -mkl option to configure. I get:

Error: The -mkl family of flags is incompatible with MKL_HOME !

What is the best way to link to MKL? Using -mkl or setting $MKL_HOME? What is the difference (if any)?


Raffaella D’Auria, PhD

On May 17, 2017, at 11:49 AM, Daniel Roe <<>> wrote:

On Wed, May 17, 2017 at 1:40 PM, Jason Swails <<>> wrote:
One possible concern is that configure actually runs some other configure
files as well (fftw, netcdf, cpptraj, etc.), so even if you change config.h

FYI cpptraj configure does not use the xHost flag (unless passed in
via CXXFLAGS etc).


Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852

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Received on Wed May 17 2017 - 18:30:02 PDT
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