Incorrect Args for pair coefficients

OpenKIM
1

Dear all,

I have built lammps with kim support.

However, I get an error saying,

ERROR: Incorrect args for pair coefficients (…/pair_kim.cpp:336)

Is there a way to fix it?

Thanks,

Swayam

2

Hello,

Can you send the input file you are working with? I'll take a look when I get a chance and see if I can spot anything.

Cheers,

Ryan Elliott

3

Hi Swayam,

If your script still looks like it did in your last post:

lmp.command("pair style kim KIMvirial model_Ar_P_Mors")
lmp.command("pair_coeff * * Ar Ar")

Then the problem is that your pair_coeff line should read as follows instead:

     lmp.command("pair_coeff * * Ar")

Sorry we didn't catch this when answering your previous question. If you're now using multispecies potentials, please refer to the pair_coeff docs (http://lammps.sandia.gov/doc/pair_coeff.html) for the proper format.

Dan

4

Hi, thanks for your suggestion.

However, I still have the problem same problem.

My current script reads:

lmp.command(“pair_style kim KIMvirial model_Ar_P_Morse”)
lmp.command(“pair_coeff * * Ar”)

and, I still get the same error as,

ERROR: Incorrect args for pair coefficients (…/pair_kim.cpp:336)

Regards,
Swayam

5

Ah,
I see now, the Model name needs to be:

6

Hi Ryan,

thanks, however it still does not seem to work. Don’t you think, since the error is in pair_coeff, it could be in that line? My current script reads:

lmp.command(“pair_style kim KIMvirial ex_model_Ar_P_Morse”)
lmp.command(“pair_coeff * * Ar”)

Regards,

Swayam

7

Hi Swayam,

As a first step, we should probably check that you’re able to successfully run the KIM example bundled with LAMMPS. My best guess is that either the example Model you’re using didn’t get compiled or wasn’t installed correctly. Did you do something like make examples when you compiled and installed the KIM API?

Dan