LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] no output in rdf file with rerun - regd
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] no output in rdf file with rerun - regd


From: Ramesh Cheerla <cheerla.ramesh1@...24...>
Date: Wed, 10 Dec 2014 17:02:29 +0530

Dear LAMMPS users,

              I am using "compute rdf"  & "compute ave/time" in my rerun to compute rdf. In my original run I have dumped coordinates for every 2000 time steps in DCD format using dump dcd and using following lines in my  rerun input script to  compute rdf

compute          2 all  rdf  200  1  1
fix                      2 all ave/time  2000  1  2000  c_2  file rdf.lammps  mode vector

with these lines job is running fine but not writing anything in the output file other than header lines. I know that problem is in choosing Nevery, Nrepat & Nfreq parameters. I have tried with other options like  2000 2 4000 but in vain.
can anybody help me in this regard.

Thank you,     

--
Regards,
Ramesh