[gmx-users] compiling gromacs-3.3.1 on itanium2 with icc and ifort

[chris.neale at utoronto.ca]

I had trouble compiling gromacs-3.3.1 parallel (but not serial) on  
itanium2 until I found the following post:

http://www.gromacs.org/pipermail/gmx-users/2004-February/009171.html

And that solution was good... I now have a functional executable.

To clarify, the solution was to do this:
export CFLAGS="-nocpprt"
before compiling gromacs.
Note also that I use a compilation script and when I put this in my  
compilation script it did not have any effect. I had to do it from the  
command line before running the script for it to work.

I posted this for 2 reasons:
1) to clarify the solution for those who will compile in the future.
2) to suggest that this gets incorporated into the ./configure script  
for the future.

$ cc --version
icc (ICC) 9.1 20061105
Copyright (C) 1985-2006 Intel Corporation.  All rights reserved.

$ f77 --version
ifort (IFORT) 9.1 20061105
Copyright (C) 1985-2006 Intel Corporation.  All rights reserved.

Chris.