change_box fixedpoint cuda

Hey All,

I’ve noticed that change_box and fixedpoint do not work with CUDA.

For “change_box”, LAMMPS throws the error:
Cuda error: Cuda_PairLJCutCuda: before updateBuffer failed in file ‘’ in line 55 : cannot set while device is active in this process.

For the fix option “fixedpoint” LAMMPS throws the error:
ERROR: Illegal fix nvt/npt/nph command (fix_nh_cuda.cpp:262)

Does CUDA support either of these?

If so, I will respond with specific details of my problem.

– WM

The fixedpoint option was likely added to fix npt well after
the CUDA version was created. Christian can comment.


Could you send me your input file? While its not yet supported it is certainly possible to add support. I'll have a look at it to see how much time it will take.