read_dump box no, ERROR: You have to use 'box no'

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1

Hello everyone,

I’m thoroughly confused by how LAMMPS (27 May 2014) works, or rather refuses to. I’ve been successfully using create_atoms before, now I replaced it with read_dump reading a xyz file formatted as below:

52
Al4Cu9
1 7.69900 7.69900 7.69900
1 1.00700 7.69900 1.00700
1 1.00700 1.00700 7.69900
1 7.69900 1.00700 1.00700
2 3.42500 3.42500 3.42500

…

I.e. just like regular xyz dumps. The point in the input file where everything goes wrong:

region box block 0 $a 0 $b 0 $c units box
create_box 2 box
read_dump …/Al4Cu9.structure.xyz 0 x y z format xyz box no
ERROR: No box information in dump. You have to use ‘box no’ (…/read_dump.cpp:361)

I just used “box no”. The documentation on this error says “self explanatory”. I’m confused.

2

Is it not obvious that the doc page said that format must be the last keyword if used?

Ray

3

It’s probably a bug - can you post your input files?

Steve

4

Weird. I just looked at http://lammps.sandia.gov/doc/read_dump.html again, and I see “must be last keyword if used” (missed that before), but then the documentation goes on to mention a couple examples, like this one: “read_dump dump.xyz 5 x y z format xyz box no”. This was the original source of my confusion, then. When I did put format to the end of the line it worked. Thank you very much!

5

yes, Ray is right. The examples on the doc
page are not all valid. I just changed them.

Steve

6

Weird. I just looked at http://lammps.sandia.gov/doc/read_dump.html again,
and I see "must be last keyword if used" (missed that before), but then the
documentation goes on to mention a couple

​the examples in the online documentation should be updated/corrected by
now. steve changed them yesterday.

axel.​