"The minimum cell size is controlled by the size of the largest charge
group or bonded interaction and the largest of rvdw, rlist and rcoulomb,
some other effects of bond constraints, and a safety margin. *Thus it is
not possible to run a small simulation with large numbers of processors.*"
Based
thank you very much for kind reply.
I change my command as following:
mpirun -exe /opt/gromacs/4.5.5/bin/mdrun_mpi_bg -args "-nosum -dlb yes
-v -s npt.tpr -nt 1" -mode VN -np 256
the "-nt 1" option has been added above. but it still doesn't work and
here is the log file
Initializing Dom
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