[lammps-users] Problem with pair style meam

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1

Dear Lammps users,

I use lammps 12 dec 2018. When i run my script, i have this warning :

““WARNING: THE pair_style meam COMMAND IS OBSOLETE AND WILL BE REMOVED VERY SOON. PLEASE USE meam/c (…/pair_meam.cpp:51)
WARNING: Using ‘neigh_modify every 1 delay 0 check yes’ setting during minimization (…/min.cpp:168)””

I have changed the “pair style meam” to “pair style mean/c” and i have another error.

Please i need your help.

Best regards!

Yen Fred

2

Hi yed,
What error are you getting? Can you attach a sample input file and data file so I can check the error? Because the message that you have posted is incomplete to say anything. I have used meam potential for CNT.

WARNING: Using ‘neigh_modify every 1 delay 0 check yes’ setting during minimization (…/min.cpp:168)""

The warning is because you ahvent

3

Hi yed,
What error are you getting? Can you attach a sample input file and data file so I can check the error? Because the message that you have posted is incomplete to say anything. I have used meam potential for CNT.

WARNING: Using ‘neigh_modify every 1 delay 0 check yes’ setting during minimization (…/min.cpp:168)""

The warning is because you haven’t set neigh modify list parameters so lammps is taking that parameters by itself but it doesn’t effect your simulation if your other inputs are correct.

4

Dear Lammps users,

I use lammps 12 dec 2018. When i run my script, i have this warning :

this is a very old version. LAMMPS has improved a lot since then. It is recommended you upgrade to a newer version.

““WARNING: THE pair_style meam COMMAND IS OBSOLETE AND WILL BE REMOVED VERY SOON. PLEASE USE meam/c (…/pair_meam.cpp:51)
WARNING: Using ‘neigh_modify every 1 delay 0 check yes’ setting during minimization (…/min.cpp:168)””

these are warnings and not automatically a problem.

the meam pair style was initially implemented in Fortran but has been later translated to C++, too. the C++ version has multiple advantages. for a while those two implementations existed in parallel, hence the warning. The fortran version has since been removed and the name of meam/c set back to meam.

I have changed the “pair style meam” to “pair style mean/c” and i have another error.

then there must be something wrong with your input. but with so little information, it is not possible to help you.

5

Thank you for your answer.

Yen Fred