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Re: [lammps-users] about compute and fix chunk/atom issue
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Re: [lammps-users] about compute and fix chunk/atom issue


From: Giacomo Fiorin <giacomo.fiorin@...24...>
Date: Sun, 26 Nov 2017 10:06:10 -0500

Please check the doc of fix ave/chunk more carefully: the chunk ID should be given without the "c_" prefix.

On Sun, Nov 26, 2017 at 6:03 AM, 徐浩 <xuhao@...6726...> wrote:

Dear Lammps experts,

This Xu Hao. I am trying to run an input file but error message was reported as:

Error: Chunk/atom compute does not exist for fix ave/chunk<../fix_ave_chunk.cpp:333>

And the relevant part of my input files is:

compute         10 all msd
fix             91 all ave/time 1 20 100 c_10[4] file msd_600.data
compute         11 all chunk/atom bin/1d x lower 1 units reduced
fix             92 all ave/chunk 100 10 1000 c_11 density/mass ave running file density_600.data
run              100000
unfix            1
write_restart   equi600.restart

 

Could you help to see where the probelm is? Thanks very much.

Regards

Xu Hao

 

 


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--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD