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Re: [lammps-users] no output from fix ave/chunk command
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Re: [lammps-users] no output from fix ave/chunk command


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 2 Oct 2017 12:58:55 -0400



On Mon, Oct 2, 2017 at 10:33 AM, ruiyan <r-yan14@...612......> wrote:

Dear lammps users, 


​please always report which version of LAMMPS you are using.
 

I want to use rerun command to read snapshots from a dump file to calculate number density in different bins. The dump file has id, type, q, x, y, z, vx, vy, vz, fx, fy, fz of each atom, with timestep ranging from 50,000 to 100,000 and a span of 100 steps. When the rerun command finishes, everything seems fine from my log file, but the output file writen by fix ave/chunk command doesn't have any other information except the three default head lines. Could you tell me what the reason is and how to solve this problem? The related commands are as follow:

compute       define_bin       all       chunk/atom      bin/1d      z      lower      2.05        units       box     

​​
fix                 1                      all       ave/chunk        100         500      50000        define_bin      density/number        norm      sample       file         density_number_of_different_bins.txt 

rerun             coord.txt         first      50100               every      100      dump       x       y        z           box       yes       replace     yes



​you may have too few frames of coordinate data in your dump file.​

thus try with, e.g.:

fix                 1                      all       ave/chunk        100         400      40000        define_bin      density/number        norm      sample       file         density_number_of_different_bins.txt 


axel.



 


Thanks and look forward to your reply.


Rui 



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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.