[gmx-users] Cannot compile gromacs-localp-3.0.2

[Erik Lindahl]

Alan Wilter Sousa da Silva wrote:

>Hello List,
>
>	We trying to compile the special gmx version for local pressure
>analysis.  However, when we try to use icc and ifc compilers (from Intel):
>
>./configure --prefix=$HOME/gromacsp --exec-prefix=$HOME/gromacsp/i386
>--program-suffix=pd --disable-float --enable-fortran CC=icc F77=ifc
>CXX=icc CFLAGS=-O FFLAGS=-O
>
>we got the following error:
>
>checking for sqrt in -lm... no
>configure: error: No math library found
>
The local pressure stuff is a special version of gromacs 3.0.2, and this 
came out before the intel compilers were released, so I doubt it will 
work. You'll have to use gcc or the standard compilers on non-linux 
platforms. Sorry, but we don't have the resources to support the local 
pressure version.

Cheers,

Erik