[gmx-users] use particle decomposition: mdrun -pd

Chih-Ying Lin chihying2008 at gmail.com
Tue Aug 18 22:38:00 CEST 2009


After the two commands,
grompp_mpi -v -f minim.mdp -c 6LYZ.gro -p 6LYZ.top -o 6LYZ-EM-vacuum.tpr

mpiexec -np 16 mdrun_mpi -v -deffnm 6LYZ-EM-vacuum

Fatal error:
pbc type no is not supported with domain decomposition,
use particle decomposition: mdrun -pd

What does it mean?

Thank you
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