MEAM and MEAM/c package

Hello All,

I was trying to use a MEAM potential and I noticed that it works well with meam pair style, however when I make LAMMPS with meam/C package and run the same input I get -nan errors in thermo output. I am using LAMMPS version 16-Mar2018.

pair_style meam/c # meam
pair_coeff * * Fe3C_library_Liyanage_2014.meam Fe C Fe3C_Liyanage_2014.meam Fe C

Please see the attached for input files and log.

Is this because meam/c package is not compiled properly? any suggestions?

Thank you,
Siavash

meam_log.lammps (8.52 KB)

meamC_log.lammps (1.35 KB)

FeC.in.meam (693 Bytes)

Fe3C.pos (1.44 KB)

Hello All,

I was trying to use a MEAM potential and I noticed that it works well with meam pair style, however when I make LAMMPS with meam/C package and run the same input I get -nan errors in thermo output. I am using LAMMPS version 16-Mar2018.

pair_style meam/c # meam
pair_coeff * * Fe3C_library_Liyanage_2014.meam Fe C Fe3C_Liyanage_2014.meam Fe C

Please see the attached for input files and log.
Is this because meam/c package is not compiled properly? any suggestions?

these attachments are useless without the two .meam files.
you also should test with the latest LAMMPS patch version (24 October
2018 as of this e-mail). there have been multiple changes and
improvements to the code since. nobody will take a closer look unless
the issue is verified with the latest code.

axel.

The latest LAMMPS patch version fixed the issue.

Thanks,
Siavash

The latest LAMMPS patch version fixed the issue.

thanks for reporting.

axel.