Quip potential

I am trying to run quip pair_style in lammps ( 9 Nov 21) to perform MD using my trained gap potential. I trained GAP potential for sodium data using distance_2b and soap as descriptors. But when I run the input file, I get the following warnings and no data are given.

WARNING: No pairwise cutoff or binsize set. Atom sorting therefore disabled. (src/atom.cpp:2179)
WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (src/comm_brick.cpp:209)

The relevant part of LAMMPS input script:

pair_style quip
pair_coeff * * gap_example.Na.xml “Potential xml_label=GAP_2021_12_24_210_5_59_39_424” 11
neighbor 0.2 bin
neigh_modify delay 10
fix 1 all nvt temp 300.0 300.0 50.0
thermo 1
timestep 0.001

while the example part in lammps package runs very well.
I have no idea how to fix this and would appreciate any help.
Thank you

The cutoff must be set somewhere in the XML file.
The LAMMPS pair style code just contains a rather minimal wrapper for the quip library code, so for more details on this, you will be better off to contact the libatoms/quip/gap developers.

If you look at the source code for pair style quip, there is simply a call to the function quip_lammps_potential_initialise() which passes the information from the pair_coeff command and receives the cutoff in return.

Thank you.
So you mean those warnings have nothing to do with input file of lammps and I have to go through my xml file.

Didn’t I state that in my first response already?

yes you did and thank you for reply.