[gmx-users] Compile Gromacs-3.3.2 on HP xxxw9300 Workstation: AMD64 Opteron with Linux

[David van der Spoel]

Tandia, Adama wrote:
> Dear ALL;
> 
> I'm trying to upgrade to GMX-3.3.2 with icc, ifort and mpich2. I used the following command with configure:
> ./configure --prefix=$HOME/GMX332 --enable-mpi --enable-double --enable-fortran ""F77=ifort" "CC=icc"
> 
> The compilation stops after couple of minutes and I get the followinfg error message:
> nb_kernel_x86_64_sse2.c:98: error: `eNR_NBKERNEL_NR' undeclared here (not in a function)
> 
> Anyone has an idea of what is going on? I searched the user-list but did not find anything like this.
> 
You can  make your life easier by using gcc instead. Fortran doesn't 
help on x86 or x86_64 chips.

> Thanks,
> 
> Adama
> 
> ++++++++++++++++++++++++++++++++++++++++++++++++++
> Adama Tandia
> Modeling & Simulation
> Corning INC
> Corning, NY 14831 USA
> Tel: 607 248 1036
> Fax: 607 974 3405
> www.corning.com
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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