[gmx-users] fnbd.c - compile errors for gromacs 3.2 and 3.2.1

[Erik Lindahl]

Hi,

> The configure-options are:
> ./configure --enable-fortran --enable-vector --enable-vectorized-recip
> --enable-vectorized-sqrt=normal,solvent,water,water-water
> --enable-prefetch=normal,solvent,water,water-water
>

--enable-vector  and --enable-vectorized-XXX options are essentially 
mutually exclusive.

Unless you are using a CRAY machine you shouldn't even think about 
using --enable-vector. As it says with "./configure --help" it is only 
indented for vector architectures, and since you're using icc I guess 
that's not the case :-)


--enable-vectorized does help on some IBM Power machines, but not on 
other architectures.

Since you are using icc I assume you're on either x86 on ia64. For x86 
just use

./configure

(No use for fortran since we have assembly loops).  On ia64 use

./configure --enable-fortran

In general, configure is pretty good at optimizing the setup for you - 
the more explicit options you give the larger the risk of forcing it to 
generate slower code!

Cheers,

Erik