Lammps gather atoms requires count to be either 1 or 3

LAMMPS LAMMPS Installation
1

Hello guys,

I have compiled lammps with ARTn and trying to run the input files, but i am getting a specific error.

Screenshot from 2024-10-15 14-53-22
Screenshot from 2024-10-15 14-53-221850×1053 161 KB

lammps_gather_atoms requires count to be either 1 or 3 (…/lib/LAMMPS.f90:766)

let me know, if anyone knows how to solve this error! I can also share if you need further info

2

This is a limitation of the LAMMPS Fortran module, but the issue seems to be in the code calling this interface. Don’t recall any per-atom property in LAMMPS that would require a value of count that is different from 1 or 3.

So you have to contact that author of that additional software or revise your own input for it accordingly.

3

The additional software i am using is Activation relaxation technique - Noveau, it runs parallel with lammps. This software explores potential energy landscape.

4

This is completely useless information. We discuss LAMMPS itself here and not software calling LAMMPS. Nobody here has any experience with it.

As I already stated, you have to contact the developers of that add-on software about this and how it is possible to call the LAMMPS Fortran module with unsupported arguments.

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5

Please also note that you are using a rather old version of LAMMPS from 3 years ago.

6

Thanks for the help, i will try with the older version of lammps and solve the error!

7

You are not making any sense again!

8

The ARTn software I am using is a older version… but the lammps software I am using is a latest version. So inorder to compile ARTn with lammps, I need to use older version of lammps from 2021.

9

Again, that is a problem of the developers of the external software. By not updating to be compatible with the current LAMMPS version, they are missing out on all the improvements and bugfixes that have been applied to LAMMPS and the LAMMPS Fortran module since.

The LAMMPS developers will not investigate or correct issues in older versions of LAMMPS unless they can be reproduced with the current development version or the latest stable version and then the fixes will be only applied to the next feature release or the next stable version update.

If you want to apply bugfixes to older versions, you have to backport them yourself.

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