I built LAMMPS-Symmetrix on a Beocat NVIDIA RTX PRO 6000 Blackwell (SM_120)
using LAMMPS patch_10Dec2025, Kokkos 4.7.1, CUDA 12.8.0, and a serial
(non-MPI) LAMMPS build.
The CMake cache confirms:
CMAKE_CUDA_ARCHITECTURES:STRING=120
Kokkos_ARCH_BLACKWELL120:BOOL=ON
The executable lists symmetrix/mace and symmetrix/mace/kk, but both lmp -h
and a one-atom Kokkos pair_style zero run abort during initialization with:
double free or corruption (!prev).
No MACE model or data file is loaded before the crash.
Is there a required Symmetrix/Kokkos configuration for RTX PRO 6000 Blackwell, especially with
Kokkos 4.7.1 and shared LAMMPS libraries?
Thanks.