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Searched refs:thisRankHasDuty (Results 1 – 25 of 39) sorted by relevance

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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dcommrec.h135 inline bool thisRankHasDuty(const t_commrec* cr, int duty) in thisRankHasDuty() function
153 #define SIMMASTER(cr) ((MASTER(cr) && thisRankHasDuty((cr), DUTY_PP)) || !PAR(cr))
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdrun/
H A Drunner.cpp641 if (thisRankHasDuty(cr, DUTY_PP) && DOMAINDECOMP(cr)) in finish_run()
652 …wallcycle_scale_by_num_threads(wcycle, thisRankHasDuty(cr, DUTY_PME) && !thisRankHasDuty(cr, DUTY_… in finish_run()
1144 useGpuForPme, thisRankHasDuty(cr, DUTY_PP), in mdrunner()
1147 EEL_PME(inputrec->coulombtype) && thisRankHasDuty(cr, DUTY_PME)); in mdrunner()
1237 … hw_opt.nthreads_omp, hw_opt.nthreads_omp_pme, !thisRankHasDuty(cr, DUTY_PP)); in mdrunner()
1272 if (DOMAINDECOMP(cr) && MASTER(cr) && thisRankHasDuty(cr, DUTY_PP) && GMX_THREAD_MPI in mdrunner()
1333 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1428 GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr), in mdrunner()
1462 if (thisRankHasDuty(cr, DUTY_PME)) in mdrunner()
1487 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
[all …]
H A Drunner.cpp.preplumed631 if (thisRankHasDuty(cr, DUTY_PP) && DOMAINDECOMP(cr))
642 …wallcycle_scale_by_num_threads(wcycle, thisRankHasDuty(cr, DUTY_PME) && !thisRankHasDuty(cr, DUTY_…
1134 useGpuForPme, thisRankHasDuty(cr, DUTY_PP),
1137 EEL_PME(inputrec->coulombtype) && thisRankHasDuty(cr, DUTY_PME));
1227 … hw_opt.nthreads_omp, hw_opt.nthreads_omp_pme, !thisRankHasDuty(cr, DUTY_PP));
1262 if (DOMAINDECOMP(cr) && MASTER(cr) && thisRankHasDuty(cr, DUTY_PP) && GMX_THREAD_MPI
1323 if (thisRankHasDuty(cr, DUTY_PP))
1418 GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr),
1452 if (thisRankHasDuty(cr, DUTY_PME))
1477 if (thisRankHasDuty(cr, DUTY_PP))
[all …]
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/
H A Drunner.cpp670 if (thisRankHasDuty(cr, DUTY_PP) && DOMAINDECOMP(cr)) in finish_run()
681 …wallcycle_scale_by_num_threads(wcycle, thisRankHasDuty(cr, DUTY_PME) && !thisRankHasDuty(cr, DUTY_… in finish_run()
1195 useGpuForPme, thisRankHasDuty(cr, DUTY_PP), in mdrunner()
1198 EEL_PME(inputrec->coulombtype) && thisRankHasDuty(cr, DUTY_PME)); in mdrunner()
1295 if (DOMAINDECOMP(cr) && thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1385 if (DOMAINDECOMP(cr) && MASTER(cr) && thisRankHasDuty(cr, DUTY_PP) && GMX_THREAD_MPI in mdrunner()
1438 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1549 GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr), in mdrunner()
1588 if (thisRankHasDuty(cr, DUTY_PME)) in mdrunner()
1632 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
[all …]
H A Dmimic.cpp579 if (!thisRankHasDuty(cr, DUTY_PME)) in do_mimic()
H A Drerun.cpp701 if (!thisRankHasDuty(cr, DUTY_PME)) in do_rerun()
H A Dmd.cpp1273 && !thisRankHasDuty(cr, DUTY_PME)) in do_md()
1695 if (!thisRankHasDuty(cr, DUTY_PME)) in do_md()
H A Dminimize.cpp405 … ir->nstcalcenergy, DOMAINDECOMP(cr), thisRankHasDuty(cr, DUTY_PME)); in init_em()
486 if (!thisRankHasDuty(cr, DUTY_PME)) in finish_em()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdrun/
H A Drunner.cpp680 if (thisRankHasDuty(cr, DUTY_PP) && DOMAINDECOMP(cr)) in finish_run()
691 …wallcycle_scale_by_num_threads(wcycle, thisRankHasDuty(cr, DUTY_PME) && !thisRankHasDuty(cr, DUTY_… in finish_run()
1205 useGpuForPme, thisRankHasDuty(cr, DUTY_PP), in mdrunner()
1208 EEL_PME(inputrec->coulombtype) && thisRankHasDuty(cr, DUTY_PME)); in mdrunner()
1291 if (DOMAINDECOMP(cr) && thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1381 if (DOMAINDECOMP(cr) && MASTER(cr) && thisRankHasDuty(cr, DUTY_PP) && GMX_THREAD_MPI in mdrunner()
1434 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1545 GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr), in mdrunner()
1584 if (thisRankHasDuty(cr, DUTY_PME)) in mdrunner()
1628 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
[all …]
H A Drunner.cpp.preplumed670 if (thisRankHasDuty(cr, DUTY_PP) && DOMAINDECOMP(cr))
681 …wallcycle_scale_by_num_threads(wcycle, thisRankHasDuty(cr, DUTY_PME) && !thisRankHasDuty(cr, DUTY_…
1195 useGpuForPme, thisRankHasDuty(cr, DUTY_PP),
1198 EEL_PME(inputrec->coulombtype) && thisRankHasDuty(cr, DUTY_PME));
1281 if (DOMAINDECOMP(cr) && thisRankHasDuty(cr, DUTY_PP))
1371 if (DOMAINDECOMP(cr) && MASTER(cr) && thisRankHasDuty(cr, DUTY_PP) && GMX_THREAD_MPI
1424 if (thisRankHasDuty(cr, DUTY_PP))
1535 GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr),
1574 if (thisRankHasDuty(cr, DUTY_PME))
1618 if (thisRankHasDuty(cr, DUTY_PP))
[all …]
H A Dmd.cpp1475 && !thisRankHasDuty(cr, DUTY_PME)) in do_md()
1901 if (!thisRankHasDuty(cr, DUTY_PME)) in do_md()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2019.6.diff/src/gromacs/mdrun/
H A Drunner.cpp981 !thisRankHasDuty(cr, DUTY_PP), in mdrunner()
1029 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1050 if (EEL_PME(inputrec->coulombtype) && (thisRankHasDuty(cr, DUTY_PME))) in mdrunner()
1107 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1159 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1226 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
1300 …GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr), "Double-checking that only PME-only ra… in mdrunner()
1322 if (thisRankHasDuty(cr, DUTY_PME)) in mdrunner()
1351 if (thisRankHasDuty(cr, DUTY_PP)) in mdrunner()
H A Drunner.cpp.preplumed981 !thisRankHasDuty(cr, DUTY_PP),
1029 if (thisRankHasDuty(cr, DUTY_PP))
1050 if (EEL_PME(inputrec->coulombtype) && (thisRankHasDuty(cr, DUTY_PME)))
1107 if (thisRankHasDuty(cr, DUTY_PP))
1159 if (thisRankHasDuty(cr, DUTY_PP))
1226 if (thisRankHasDuty(cr, DUTY_PP))
1300 …GMX_ASSERT(thisRankHasDuty(cr, DUTY_PP) == (fr != nullptr), "Double-checking that only PME-only ra…
1322 if (thisRankHasDuty(cr, DUTY_PME))
1351 if (thisRankHasDuty(cr, DUTY_PP))
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dgmx_omp_nthreads.cpp446 bSepPME = (thisRankHasDuty(cr, DUTY_PP) != thisRankHasDuty(cr, DUTY_PME)); in gmx_omp_nthreads_init()
H A Dsim_util.cpp1075 … && (thisRankHasDuty(cr, DUTY_PME) || runScheduleWork->simulationWork.useGpuPmePpCommunication)) in setupGpuForceReductions()
1077 void* forcePtr = thisRankHasDuty(cr, DUTY_PME) ? pme_gpu_get_device_f(fr->pmedata) in setupGpuForceReductions()
1083 (thisRankHasDuty(cr, DUTY_PME) ? pme_gpu_get_f_ready_synchronizer(fr->pmedata) in setupGpuForceReductions()
1167 simulationWork, thisRankHasDuty(cr, DUTY_PME)); in do_force()
1171 simulationWork.useGpuPme && thisRankHasDuty(cr, DUTY_PME) && stepWork.computeSlowForces; in do_force()
1223 !thisRankHasDuty(cr, DUTY_PME) && !simulationWork.useGpuPmePpCommunication; in do_force()
1242 …if (GMX_MPI && !thisRankHasDuty(cr, DUTY_PME) && !pmeSendCoordinatesFromGpu && stepWork.computeSlo… in do_force()
1285 if (!thisRankHasDuty(cr, DUTY_PME) && pmeSendCoordinatesFromGpu) in do_force()
1597 if (DOMAINDECOMP(cr) && !thisRankHasDuty(cr, DUTY_PME)) in do_force()
1987 if (PAR(cr) && !thisRankHasDuty(cr, DUTY_PME) && stepWork.computeSlowForces in do_force()
[all …]
H A Dresethandler.cpp209 if (!thisRankHasDuty(cr, DUTY_PME)) in resetCountersImpl()
H A Dforce.cpp117 && thisRankHasDuty(cr, DUTY_PME) in calculateLongRangeNonbondeds()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdlib/
H A Dsim_util.cpp1081 … && (thisRankHasDuty(cr, DUTY_PME) || runScheduleWork->simulationWork.useGpuPmePpCommunication)) in setupGpuForceReductions()
1083 void* forcePtr = thisRankHasDuty(cr, DUTY_PME) ? pme_gpu_get_device_f(fr->pmedata) in setupGpuForceReductions()
1089 (thisRankHasDuty(cr, DUTY_PME) ? pme_gpu_get_f_ready_synchronizer(fr->pmedata) in setupGpuForceReductions()
1173 simulationWork, thisRankHasDuty(cr, DUTY_PME)); in do_force()
1177 simulationWork.useGpuPme && thisRankHasDuty(cr, DUTY_PME) && stepWork.computeSlowForces; in do_force()
1229 !thisRankHasDuty(cr, DUTY_PME) && !simulationWork.useGpuPmePpCommunication; in do_force()
1248 …if (GMX_MPI && !thisRankHasDuty(cr, DUTY_PME) && !pmeSendCoordinatesFromGpu && stepWork.computeSlo… in do_force()
1291 if (!thisRankHasDuty(cr, DUTY_PME) && pmeSendCoordinatesFromGpu) in do_force()
1596 if (DOMAINDECOMP(cr) && !thisRankHasDuty(cr, DUTY_PME)) in do_force()
1994 if (PAR(cr) && !thisRankHasDuty(cr, DUTY_PME) && stepWork.computeSlowForces in do_force()
[all …]
H A Dsim_util.cpp.preplumed1075 … && (thisRankHasDuty(cr, DUTY_PME) || runScheduleWork->simulationWork.useGpuPmePpCommunication))
1077 void* forcePtr = thisRankHasDuty(cr, DUTY_PME) ? pme_gpu_get_device_f(fr->pmedata)
1083 (thisRankHasDuty(cr, DUTY_PME) ? pme_gpu_get_f_ready_synchronizer(fr->pmedata)
1167 simulationWork, thisRankHasDuty(cr, DUTY_PME));
1171 simulationWork.useGpuPme && thisRankHasDuty(cr, DUTY_PME) && stepWork.computeSlowForces;
1223 !thisRankHasDuty(cr, DUTY_PME) && !simulationWork.useGpuPmePpCommunication;
1242 …if (GMX_MPI && !thisRankHasDuty(cr, DUTY_PME) && !pmeSendCoordinatesFromGpu && stepWork.computeSlo…
1285 if (!thisRankHasDuty(cr, DUTY_PME) && pmeSendCoordinatesFromGpu)
1590 if (DOMAINDECOMP(cr) && !thisRankHasDuty(cr, DUTY_PME))
1980 if (PAR(cr) && !thisRankHasDuty(cr, DUTY_PME) && stepWork.computeSlowForces
[all …]
/dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/
H A Ddomdec.cpp1102 if (!thisRankHasDuty(cr, DUTY_PP) || gpu_id < 0) in dd_setup_dlb_resource_sharing()
1382 if (thisRankHasDuty(cr, DUTY_PP)) in make_pp_communicator()
1436 if (thisRankHasDuty(cr, DUTY_PP)) in receive_ddindex2simnodeid()
1596 thisRankHasDuty(cr, DUTY_PP) ? "particle-particle" : "PME-mesh"); in split_communicator()
1656 if (thisRankHasDuty(cr, DUTY_PP)) in setupGroupCommunication()
1672 if (!thisRankHasDuty(cr, DUTY_PME)) in setupGroupCommunication()
3038 if (thisRankHasDuty(cr_, DUTY_PP)) in build()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdlib/
H A Dforce.cpp195 && thisRankHasDuty(cr, DUTY_PME) in do_force_lowlevel()
H A Dforce.cpp.preplumed189 && thisRankHasDuty(cr, DUTY_PME)
/dports/science/gromacs/gromacs-2021.4/src/gromacs/modularsimulator/
H A Dsimulatoralgorithm.cpp241 if (!thisRankHasDuty(cr, DUTY_PME)) in simulatorTeardown()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2019.6.diff/src/gromacs/mdlib/
H A Dforce.cpp443 thisRankHasDuty(cr, DUTY_PME) && (pme_run_mode(fr->pmedata) == PmeRunMode::CPU)) in do_force_lowlevel()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/ewald/
H A Dpme_load_balancing.cpp227 pme_lb->bSepPMERanks = !thisRankHasDuty(cr, DUTY_PME); in pme_loadbal_init()

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