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[lammps-users] rerun command
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[lammps-users] rerun command

From: "Mirshekariyan Babaki, Mehrnaz" <mehrnaz.babaki@...1516...>
Date: Thu, 9 Nov 2017 13:31:30 +0000

Dear all,

I am using the lammps-17Nov16 version of LAMMPS and I want to use the compute cluster command to write a histogram of cluster size. 

First I dumped the trajectories during a MD run with "dump 1 all atom file.lammpstrj" command. After the MD run is completed I tried to compute the cluster size with the following lines:

read_restart file.*.restart

compute cluster all cluster/atom 2.5

compute cc1 all chunk/atom c_cluster compress yes

compute size all property/chunk cc1 count

fix 1 all ave/histo 1000 1 1000 0 30 30 c_size mode vector ave running beyond ignore file tmp.histo

rerun file.lammpstrj dump x y z

However, when the simulation was finished, nothing was written in the histogram output file (tmp.histo), unless the header lines.

Could anyone suggest why the file is not properly generated?