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38 #include "gromacs/mdlib/gmx_omp_nthreads.h"
39 #include "gromacs/nbnxm/nbnxm.h"
40 #include "gromacs/nbnxm/pairlist.h"
41 #include "gromacs/utility/gmxassert.h"
43 #include "kernels_reference/kernel_ref_prune.h"
44 #include "kernels_simd_2xmm/kernel_prune.h"
45 #include "kernels_simd_4xm/kernel_prune.h"
48 void NbnxnDispatchPruneKernel(nonbonded_verlet_t *nbv,
49 const Nbnxm::InteractionLocality ilocality,
50 const rvec *shift_vec)
52 nonbonded_verlet_group_t &nbvg = nbv->grp[ilocality];
53 nbnxn_pairlist_set_t *nbl_lists = &nbvg.nbl_lists;
54 const nbnxn_atomdata_t *nbat = nbv->nbat;
55 const real rlistInner = nbv->listParams->rlistInner;
57 GMX_ASSERT(nbl_lists->nbl[0]->ciOuter.size() >= nbl_lists->nbl[0]->ci.size(),
58 "Here we should either have an empty ci list or ciOuter should be >= ci");
60 int gmx_unused nthreads = gmx_omp_nthreads_get(emntNonbonded);
61 #pragma omp parallel for schedule(static) num_threads(nthreads)
62 for (int i = 0; i < nbl_lists->nnbl; i++)
64 NbnxnPairlistCpu *nbl = nbl_lists->nbl[i];
66 switch (nbvg.kernel_type)
68 case nbnxnk4xN_SIMD_4xN:
69 nbnxn_kernel_prune_4xn(nbl, nbat, shift_vec, rlistInner);
71 case nbnxnk4xN_SIMD_2xNN:
72 nbnxn_kernel_prune_2xnn(nbl, nbat, shift_vec, rlistInner);
74 case nbnxnk4x4_PlainC:
75 nbnxn_kernel_prune_ref(nbl, nbat, shift_vec, rlistInner);
78 GMX_RELEASE_ASSERT(false, "kernel type not handled (yet)");