[gmx-users] 4 processor system

[David van der Spoel]

On Mon, 2005-01-24 at 08:31 +0100, Florian Haberl wrote:
> hi,
> 
> > I have a 4 cpu system. I compiled gromacs with the flags:
> > --enabled-threads --enabled-mpi...... When I run mdrun with -nt 4 (it
> > should be use 4 cpu) flag, it showed me that "Fatal error: GROMACS
> > compiled without threads support - can only use one thread
> > [0] MPI Abort by user Aborting program !
> > [0] Aborting program!
> > p0_5482:  p4_error: : -1
> >     p4_error: latest msg from perror: Success"
> >
> > I read some messages about how to run mdrun on dual cpu system. It
> > seamed that I need use the LAM-MPI. It is necessory or not for me? How
> > should I do for the 4 cpu system?
> 
> You need it.
> 
> You need always a mpi version for multiprocessors, you enable it in gromacs 
> (with compiling flag --enable-mpi) so you must have this on your system.
> 
That's correct. In addition, the threaded version do not work yet.
> 
> Greetings,
> 
> Florian
> 
-- 
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://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++