[lammps-users] Cannot Open Airebo Potential File

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1

I tried running the attached input and data file (From the mail-list archives), and got the error,

*"Cannot open AIREBO potential file CH.Airebo"*
The lammps errors page says to check that the path and name are correct.

How do you make these corrections to the path and name?

v/r,

in.graphite_qiu (663 Bytes)

data.graphite (12.4 KB)

2

I tried running the attached input and data file (From the mail-list
archives), and got the error,
"Cannot open AIREBO potential file CH.Airebo"
The lammps errors page says to check that the path and name are correct.

How do you make these corrections to the path and name?

??? with a text editor? or by copying or renaming the file?

the potential distributed with lammps has the name "CH.airebo"
and not "CH.Airebo". the difference and the need for change
should be pretty obvious, right?

cheers,
    axel.

3

Actually, the filename “CH.airebo” was used for the potential file, and for the command in the lammps input script when I got the error, not “CH.Airebo”.

I misspelled it in the previous message, sorry about that.

??? with a text editor? or by copying or renaming the file?

Specifically, I was looking for any OS specific commands/directives to use to specify the correct path, and in which files other than the CH.airebo potential files this should be done in.

Hope this topic or level of difficulty is not inappropriate for the mail-list, just wasn’t finding much on my websearch over the past few days.

thx for your time.

very respectfully,

dc

4

Actually, the filename "CH.airebo" was used for the potential file, and for
the command in the lammps input script when I got the error, not
"CH.Airebo".

I misspelled it in the previous message, sorry about that.

??? with a text editor? or by copying or renaming the file?

Specifically, I was looking for any OS specific commands/directives to use
to specify the correct path, and in which files other than the CH.airebo
potential files this should be done in.

the argument is taken as a path relative to the current working dir.
you can also use a full path.

there ist nothing special to it.

axel

5

Thanks,

Think I showed how much of a “newbie” I really am.

very respectfully (with egg on my face),