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Searched refs:mpi_comm_mysim (Results 1 – 25 of 30) sorted by relevance

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/dports/science/gromacs/gromacs-2021.4/src/gromacs/ewald/
H A Dpme_pp.cpp164 MPI_Isend(cnb, sizeof(*cnb), MPI_BYTE, dd->pme_nodeid, eCommType_CNB, cr->mpi_comm_mysim, in gmx_pme_send_coeffs_coords()
172 MPI_Isend(&n, sizeof(n), MPI_BYTE, dd->pme_nodeid, eCommType_CNB, cr->mpi_comm_mysim, in gmx_pme_send_coeffs_coords()
183 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
188 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
193 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
198 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
203 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
208 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
231 cr->mpi_comm_mysim, &dd->req_pme[dd->nreq_pme++]); in gmx_pme_send_coeffs_coords()
337 … MPI_Send(&cnb, sizeof(cnb), MPI_BYTE, cr->dd->pme_nodeid, eCommType_CNB, cr->mpi_comm_mysim); in gmx_pme_send_switchgrid()
[all …]
H A Dpme_only.cpp114 MPI_Comm mpi_comm_mysim; /**< MPI communicator for this simulation */ member
151 pme_pp->mpi_comm_mysim = cr->mpi_comm_mysim; in gmx_pme_pp_init()
278 pme_pp->mpi_comm_mysim, MPI_STATUS_IGNORE); in gmx_pme_recv_coeffs_coords()
335 eCommType_CNB, pme_pp->mpi_comm_mysim, &pme_pp->req[messages++]); in gmx_pme_recv_coeffs_coords()
403 … sender.rankId, q, pme_pp->mpi_comm_mysim, &pme_pp->req[messages++]); in gmx_pme_recv_coeffs_coords()
464 … eCommType_COORD, pme_pp->mpi_comm_mysim, &pme_pp->req[messages++]); in gmx_pme_recv_coeffs_coords()
533 pme_pp->mpi_comm_mysim, &pme_pp->req[*messages]); in sendFToPP()
585 MPI_Isend(&cve, sizeof(cve), MPI_BYTE, pme_pp->peerRankId, 1, pme_pp->mpi_comm_mysim, in gmx_pme_send_force_vir_ener()
643 deviceStreamManager->stream(gmx::DeviceStreamType::Pme), pme_pp->mpi_comm_mysim, in gmx_pmeonly()
646 deviceStreamManager->stream(gmx::DeviceStreamType::Pme), pme_pp->mpi_comm_mysim, in gmx_pmeonly()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2019.6.diff/src/gromacs/mdrun/
H A Dlegacymdrunoptions.cpp165 MPI_Comm_split(MPI_COMM_WORLD, ms->sim, cr->sim_nodeid, &cr->mpi_comm_mysim); in updateFromCommandLine()
166 cr->mpi_comm_mygroup = cr->mpi_comm_mysim; in updateFromCommandLine()
167 MPI_Comm_rank(cr->mpi_comm_mysim, &cr->sim_nodeid); in updateFromCommandLine()
H A Dlegacymdrunoptions.cpp.preplumed165 MPI_Comm_split(MPI_COMM_WORLD, ms->sim, cr->sim_nodeid, &cr->mpi_comm_mysim);
166 cr->mpi_comm_mygroup = cr->mpi_comm_mysim;
167 MPI_Comm_rank(cr->mpi_comm_mysim, &cr->sim_nodeid);
H A Drunner.cpp796 gmx_fatal_collective(FARGS, cr->mpi_comm_mysim, MASTER(cr), in mdrunner()
1086 MPI_Barrier(cr->mpi_comm_mysim); in mdrunner()
1097 MPI_Barrier(cr->mpi_comm_mysim); in mdrunner()
H A Drunner.cpp.preplumed796 gmx_fatal_collective(FARGS, cr->mpi_comm_mysim, MASTER(cr),
1086 MPI_Barrier(cr->mpi_comm_mysim);
1097 MPI_Barrier(cr->mpi_comm_mysim);
H A Dminimize.cpp511 plumed_cmd(plumedmain,"GREX setMPIIntracomm",&cr->mpi_comm_mysim); in init_em()
520 plumed_cmd(plumedmain,"setMPIComm",&cr->mpi_comm_mysim); in init_em()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/
H A Dgpuhaloexchange_impl.cu462 MPI_Comm mpi_comm_mysim, in Impl() argument
475 mpi_comm_mysim_(mpi_comm_mysim), in Impl()
508 MPI_Comm mpi_comm_mysim, in GpuHaloExchange() argument
514 …impl_(new Impl(dd, dimIndex, mpi_comm_mysim, deviceContext, localStream, nonLocalStream, pulse, wc… in GpuHaloExchange()
H A Dgpuhaloexchange.h95 MPI_Comm mpi_comm_mysim,
H A Dgpuhaloexchange_impl.cuh85 MPI_Comm mpi_comm_mysim,
H A Ddomdec.cpp712 MPI_Cart_rank(cr->mpi_comm_mysim, coords, &nodeid); in ddcoord2simnodeid()
752 MPI_Cart_coords(cr->mpi_comm_mysim, sim_nodeid, DIM, coord); in dd_simnode2pmenode()
757 MPI_Cart_rank(cr->mpi_comm_mysim, coord_pme, &pmenode); in dd_simnode2pmenode()
863 MPI_Cart_coords(cr->mpi_comm_mysim, cr->sim_nodeid, DIM, coords); in receive_vir_ener()
868 MPI_Cart_rank(cr->mpi_comm_mysim, coords, &rank); in receive_vir_ener()
1371 cr->mpi_comm_mysim = cr->mpi_comm_mygroup; in make_pp_communicator()
1388 cr->mpi_comm_mysim); in make_pp_communicator()
1442 cr->mpi_comm_mysim); in receive_ddindex2simnodeid()
1537 cr->mpi_comm_mysim = comm_cart; in split_communicator()
1557 MPI_Comm_split(cr->mpi_comm_mysim, getThisRankDuties(cr), in split_communicator()
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxlib/
H A Dnetwork.cpp93 cr->mpi_comm_mysim = MPI_COMM_NULL; in init_commrec()
116 bool mySimIsMyGroup = (cr->mpi_comm_mysim == cr->mpi_comm_mygroup); in done_commrec()
117 if (cr->mpi_comm_mysim != MPI_COMM_NULL && cr->mpi_comm_mysim != MPI_COMM_WORLD) in done_commrec()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrunutility/tests/
H A Dthreadaffinitytest.cpp78 cr_->mpi_comm_mysim = MPI_COMM_WORLD; in ThreadAffinityTestHelper()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dgmx_omp_nthreads.cpp388 MPI_Allreduce(buf_in, buf_out, 4, MPI_INT, MPI_MAX, cr->mpi_comm_mysim); in reportOpenmpSettings()
456 MPI_Barrier(cr->mpi_comm_mysim); in gmx_omp_nthreads_init()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dcommrec.h92 MPI_Comm mpi_comm_mysim; /* communicator including all ranks of member
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/
H A Drunner.cpp635 MPI_Allreduce(nrnb->n, nrnb_tot->n, eNRNB, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in finish_run()
651 cr->mpi_comm_mysim); in finish_run()
656 1, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in finish_run()
1051 PAR(cr) ? NumRanks::Multiple : NumRanks::Single, cr->mpi_comm_mysim, ms, disresdata, in mdrunner()
1424 gmx_bcast(sizeof(reset_counters), &reset_counters, cr->mpi_comm_mysim); in mdrunner()
1470 cr->mpi_comm_mysim, cr->dd->pme_nodeid, deviceStreamManager->context(), in mdrunner()
1584 gmx_bcast(sizeof(nChargePerturbed), &nChargePerturbed, cr->mpi_comm_mysim); in mdrunner()
1585 gmx_bcast(sizeof(nTypePerturbed), &nTypePerturbed, cr->mpi_comm_mysim); in mdrunner()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdrun/
H A Drunner.cpp645 MPI_Allreduce(nrnb->n, nrnb_tot->n, eNRNB, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in finish_run()
661 cr->mpi_comm_mysim); in finish_run()
666 1, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in finish_run()
1061 PAR(cr) ? NumRanks::Multiple : NumRanks::Single, cr->mpi_comm_mysim, ms, disresdata, in mdrunner()
1420 gmx_bcast(sizeof(reset_counters), &reset_counters, cr->mpi_comm_mysim); in mdrunner()
1466 cr->mpi_comm_mysim, cr->dd->pme_nodeid, deviceStreamManager->context(), in mdrunner()
1580 gmx_bcast(sizeof(nChargePerturbed), &nChargePerturbed, cr->mpi_comm_mysim); in mdrunner()
1581 gmx_bcast(sizeof(nTypePerturbed), &nTypePerturbed, cr->mpi_comm_mysim); in mdrunner()
H A Drunner.cpp.preplumed635 MPI_Allreduce(nrnb->n, nrnb_tot->n, eNRNB, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim);
651 cr->mpi_comm_mysim);
656 1, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim);
1051 PAR(cr) ? NumRanks::Multiple : NumRanks::Single, cr->mpi_comm_mysim, ms, disresdata,
1410 gmx_bcast(sizeof(reset_counters), &reset_counters, cr->mpi_comm_mysim);
1456 cr->mpi_comm_mysim, cr->dd->pme_nodeid, deviceStreamManager->context(),
1570 gmx_bcast(sizeof(nChargePerturbed), &nChargePerturbed, cr->mpi_comm_mysim);
1571 gmx_bcast(sizeof(nTypePerturbed), &nTypePerturbed, cr->mpi_comm_mysim);
H A Dminimize.cpp494 plumed_cmd(plumedmain,"GREX setMPIIntracomm",&cr->mpi_comm_mysim); in init_em()
503 plumed_cmd(plumedmain,"setMPIComm",&cr->mpi_comm_mysim); in init_em()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/timing/
H A Dwallcycle.cpp647 MPI_Allreduce(cycles_n, buf, nsum + 1, MPI_DOUBLE, MPI_MAX, cr->mpi_comm_mysim); in wallcycle_sum()
662 MPI_Allreduce(cycles, cycles_sum.data(), nsum, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in wallcycle_sum()
675 MPI_Allreduce(cyc_all, buf_all, ewcNR * ewcNR, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in wallcycle_sum()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdrun/
H A Drunner.cpp606 MPI_Allreduce(nrnb->n, nrnb_tot->n, eNRNB, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in finish_run()
622 cr->mpi_comm_mysim); in finish_run()
627 1, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim); in finish_run()
983 gmx_fatal_collective(FARGS, cr->mpi_comm_mysim, MASTER(cr), in mdrunner()
1366 cr->dd, cr->mpi_comm_mysim, streamLocal, streamNonLocal); in mdrunner()
H A Drunner.cpp.preplumed596 MPI_Allreduce(nrnb->n, nrnb_tot->n, eNRNB, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim);
612 cr->mpi_comm_mysim);
617 1, MPI_DOUBLE, MPI_SUM, cr->mpi_comm_mysim);
973 gmx_fatal_collective(FARGS, cr->mpi_comm_mysim, MASTER(cr),
1356 cr->dd, cr->mpi_comm_mysim, streamLocal, streamNonLocal);
/dports/science/plumed/plumed2-2.7.2/patches/
H A Dgromacs-4.5.7.diff78 + plumed_cmd(plumedmain,"GREX setMPIIntracomm",&cr->mpi_comm_mysim);
87 + plumed_cmd(plumedmain,"setMPIComm",&cr->mpi_comm_mysim);
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrunutility/
H A Dthreadaffinity.cpp98 MPI_Reduce(&value, &globalValue, 1, MPI_INT, MPI_LOR, MASTERRANK(cr), cr->mpi_comm_mysim); in invalidWithinSimulation()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/taskassignment/
H A Dresourcedivision.cpp598 … MPI_Allreduce(count.data(), count_max.data(), count.size(), MPI_INT, MPI_MAX, cr->mpi_comm_mysim); in check_resource_division_efficiency()

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