change_box fixedpoint cuda

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1

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 ‘neighbor.cu’ 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

2

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

Steve

3

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.

Christian