[gmx-users] 4 processor system

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Mon Jan 24 08:31:02 CET 2005


> 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.



 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de

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