[gmx-users] Cannot run in parallel

David van der Spoel spoel at xray.bmc.uu.se
Wed Sep 5 16:49:08 CEST 2001

On Wed, 5 Sep 2001, Alan Wilter Sousa da Silva wrote:

>	I took the tutorial "water" to test a simulation in parallel.  I
>set a cluser of 4 processors using MOSIX architecture.  I put all
>libraries necessary (I guess), I started lamboot.  So I did:
>>grompp -f water.mdp -p water.top -c spc216.gro -o water.t pr -np 2
>-shuffle -sort
>(to test a simulation using 2 processors)
>>mdrun_mpi -s water.tpr -o water.trr -c water_out.gr o -v -g
>water.log -np 2
you should type

mpirun -c 2 -c2c -O mdrun_mpi options...

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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