dump_modify nfile problem

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1

Dear all,

I have a small problem with
dump_modify nfile

Shortly, in the example below lammps is correctly writing a single file. However, only data of a single
processor make sense, i.e. data of roughly N/np particles. So I guess the processors are not passing
the information properly. Everything works if I remove the dump_modify command, of if I set nfile = number of processors.

> dump DUMPA_ALL all custom \{dtwrite\} dumps/dump\_{N}_\{rho\}\_{Temperature}_TW${TW}_${Rank}_P%.bin id xu yu zu
> dump_modify DUMPA_ALL nfile 1

Any suggestion?

Thanks,
Massimo

2

I added these lines to bench/in.lj, for a problem size of 4000 atoms (10x10x10 lattice)

and turned things on/off.

dump 1 all custom 100 tmp. id xu yu zu #dump 1 all custom 100 tmp..bin id xu yu zu
#dump_modify 1 nfile 1

In all 4 cases (text or binary dump files, dump modify commented in or out),

I get the desired output when running on 4 procs.

E.g. 1 big file or 4 small files

So I’m either not clear on your question, or not seeing the same
problem.

Are you running the current version of LAMMPS?

Steve

3

Dear Steve,

thanks. The example file with the dump_modify addition works for me too.
So it must me a problem with my script or my data analysis. I will double check.
My apologize for bothering you - I should have check before.
Massimo