"ERROR: Fix adapt interface to this pair style not supported (src/pair.cpp:290)" for pair_style lj/class2/coul/long

LAMMPS LAMMPS Development
1

Hello,

I’m using 27Oct2021 version of lammps.

I use fix gcmc module, with GPU libraries on. I’ve had no problems using the module, with lj/cut/coul/long pair style, with GPU enabled.

However, the error :

ERROR: Fix adapt interface to this pair style not supported (src/pair.cpp:290)

is produced when I try the pair style lj/class2/coul/long. I understand fix gcmc is utilizing fix adapt, but the fix adapt manual states the pair style is supported. Is this due to the GPU version of pair style not being supported?

Regards, and thanks in advance

2

Correct.

For GPU pair styles an additional function needs to be included in the pair style to transfer the updated parameters to the GPU. This has only been done for about 40% of the GPU accelerated pair styles.

3

Thank you Axel.

I will see if I can write a patch for the pair style in concern and post it here if I succeed.