out of range atoms error

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1

hi dear LAMMPS users

Some errors showed up while i was trying to run a simulation with lammps.

first it started showing the error of: Neighbor list overflow, boost neigh_modify one (neigh_half_bin.cpp:377)

after boosting neigh modify every time I try a simulation it ends with the error: Out of range atoms - cannot compute PPPM (pppm_cg.cpp:300)

this errors happen independent of what I’m trying to run, even some simulations I did successfully a few weeks ago doesn’t work any more.

I would be glad if you help me with these errors.

2

Before asking for help in such a generic way, you should first do some research about what this error means and whether it has been discussed before.

3

I searches through the error messages of LAMMPS manual and the mailing list and know a little about what these errors mean.

what exactly i have problem with is that some simulations that worked just a week ago doesn’t work any more on the same computer. it made me think it’s not the configuration of the system that is not working.

I’ve retried about 6 different simulations that were successfully ran a week ago and the same happens for all of them.

4

I searches through the error messages of LAMMPS manual and the mailing list and know a little about what these errors mean.
what exactly i have problem with is that some simulations that worked just a week ago doesn’t work any more on the same computer. it made me think it’s not the configuration of the system that is not working.
I’ve retried about 6 different simulations that were successfully ran a week ago and the same happens for all of them.

This reasoning doesn’t make sense. Something has to be different. But how should somebody know, if there is no tangible information?

Have you tried running any of the examples shipped with lammps? Those are generally known.to work.