[gmx-users] double processor run

jozef hritz hritz at tom.fos.su.se
Tue Mar 5 19:15:56 CET 2002

I try to run gromacs on double processor maschine. So I made:
grompp -f full.mdp -c PKCfull.gro -p PKC.top -o pokus.tpr -np 2

but after:
mdrun_mpi -np 2 -s pokus.tpr -o pokus.trr -c pokus.gro -v -N 2

I got:
Fatal error: run input file pokus.tpr was made for 2 nodes,
             while mdrun_mpi expected it to be for 1 nodes

I don't understand why mdrun_mpi espect 1 node, when I used -np 2

	Thanks for help


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