*/
mimimumNumEnergyGroupNonbonded = 1;
}
- nbnxn_atomdata_init(mdlog,
- nbat.get(),
- kernelSetup.kernelType,
- enbnxninitcombrule,
- forcerec.ntype,
- forcerec.nbfp,
- mimimumNumEnergyGroupNonbonded,
- (useGpuForNonbonded || emulateGpu) ? 1 : gmx_omp_nthreads_get(emntNonbonded));
+ nbnxn_atomdata_init(
+ mdlog,
+ nbat.get(),
+ kernelSetup.kernelType,
+ enbnxninitcombrule,
+ forcerec.ntype,
+ forcerec.nbfp,
+ mimimumNumEnergyGroupNonbonded,
+ (useGpuForNonbonded || emulateGpu) ? 1 : gmx_omp_nthreads_get(ModuleMultiThread::Nonbonded));
NbnxmGpu* gpu_nbv = nullptr;
int minimumIlistCountForGpuBalancing = 0;
DOMAINDECOMP(commrec) ? domdec_zones(commrec->dd) : nullptr,
pairlistParams.pairlistType,
bFEP_NonBonded,
- gmx_omp_nthreads_get(emntPairsearch),
+ gmx_omp_nthreads_get(ModuleMultiThread::Pairsearch),
pinPolicy);
return std::make_unique<nonbonded_verlet_t>(