read_data error

Dear professor,
An error occurred,when lammps was trying to read data file by the command read_data. The error is: ERROR on proc 0: Unknown identifier in data file:1972 658 3 -1.1794 4.479 58.628 8.991 0 0 0
I have referred to the mannual, but I am still puzzled as to the reason why lammps cannot read the section of data, since the former section of data file can be read, and the format of data file have not any mistake. The lammps is run on a single node with 4 procs. Does that lammps was not run in parallel cause this kind of problem? The input script and data file are attached as accessories. Could you give me some instructions?
Thanks a lot.
Yours
Tang

in.ch4 (2.34 KB)

data.data (364 KB)

the format of data file have not any mistake

This statement is undoubtably wrong. The error you
list is what happens when the format of the data file
is incorrect. I would check it again. If you find the
bad line, that should give you a hint as to what section
it is in.

Steve

2011/4/13 tlx0509236.happy <[email protected]>:

2011/4/13 tlx0509236.happy <[email protected]>:

Dear professor,
An error occurred,when lammps was trying to read data file by the command
read_data. The error is: ERROR on proc 0: Unknown identifier in data
file:1972 658 3 -1.1794 4.479 58.628 8.991 0 0 0
I have referred to the mannual, but I am still puzzled as to the reason why
lammps cannot read the section of data, since the former section of data
file can be read, and the format of data file have not any mistake. The

you are wrong. your data file format _is_ at fault.

you have empty lines inserted, on every other line where there should be none.
hence the code to read the Atoms section fails right after it has read
the number
of lines of atom data it was expecting (3942). the line with atom 1972 is the
3943rd line in the atoms section, after the atoms keyword and the required(!)
empty line.

the parser in the topotools plugin in VMD is a bit more forgiving and will
just read over the empty lines and i can produce a correctly formatted file
with simply:

topo readlammpsdata data.data full
topo writelammpsdata data.correct full

that file still fails, but because of unphysical coordinates,
not of the input format.

lammps is run on a single node with 4 procs. Does that lammps was not run in

it fails in serial,. too. so why should you blame running in parallel?

parallel cause this kind of problem? The input script and data file are
attached as accessories. Could you give me some instructions?

you didn't RTFM well enough.

cheers,
    axel.