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

2007-12-04 Thread Mark Abraham
 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.

Well that might depend on your shell.

An alternative for your script is ./configure --whatever CFLAGS=-nocpprt

 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.

Mark

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

2007-11-30 Thread chris . neale
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.

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