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38 * Implements the PairSearch class
40 * \author Berk Hess <hess@kth.se>
41 * \ingroup module_nbnxm
46 #include "pairsearch.h"
48 #include "gromacs/mdtypes/nblist.h"
53 void SearchCycleCounting::printCycles(FILE* fp, gmx::ArrayRef<const PairsearchWork> work) const
57 "ns %4d grid %4.1f search %4.1f",
58 cc_[enbsCCgrid].count(),
59 cc_[enbsCCgrid].averageMCycles(),
60 cc_[enbsCCsearch].averageMCycles());
64 if (cc_[enbsCCcombine].count() > 0)
66 fprintf(fp, " comb %5.2f", cc_[enbsCCcombine].averageMCycles());
68 fprintf(fp, " s. th");
69 for (const PairsearchWork& workEntry : work)
71 fprintf(fp, " %4.1f", workEntry.cycleCounter.averageMCycles());
79 PairsearchWork::PairsearchWork() :
82 nbl_fep(std::make_unique<t_nblist>()),
89 PairsearchWork::~PairsearchWork() = default;
91 PairSearch::PairSearch(const PbcType pbcType,
92 const bool doTestParticleInsertion,
93 const ivec* numDDCells,
94 const gmx_domdec_zones_t* ddZones,
95 const PairlistType pairlistType,
97 const int maxNumThreads,
98 gmx::PinningPolicy pinningPolicy) :
99 gridSet_(pbcType, doTestParticleInsertion, numDDCells, ddZones, pairlistType, haveFep, maxNumThreads, pinningPolicy),
102 cycleCounting_.recordCycles_ = (getenv("GMX_NBNXN_CYCLE") != nullptr);