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new compiler error after open kspace and kokkos: Force has no member named 'bounds' #287
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We have noticed that the latest LAMMPS changed some APIs. We are investigating this issue. |
I see, thanks. |
Previous Lammps works. I never used DP potential before, but it seems very slow compared to EAM? openmp seems work but not MPI. |
For training, only openmp works; for MD simulations, both MPI and openmp are avaiable. |
../pair_nnp.cpp: In member function ‘virtual void LAMMPS_NS::PairNNP::coeff(int, char**)’:
../pair_nnp.cpp:819:12: error: ‘class LAMMPS_NS::Force’ has no member named ‘bounds’
force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
^
../pair_nnp.cpp:820:12: error: ‘class LAMMPS_NS::Force’ has no member named ‘bounds’
force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
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