Searched refs:sim_nodeid (Results 1 – 11 of 11) sorted by relevance
| /dports/science/plumed/plumed2-2.7.2/patches/gromacs-2019.6.diff/src/gromacs/mdrun/ |
| H A D | legacymdrunoptions.cpp | 165 MPI_Comm_split(MPI_COMM_WORLD, ms->sim, cr->sim_nodeid, &cr->mpi_comm_mysim); in updateFromCommandLine()
167 MPI_Comm_rank(cr->mpi_comm_mysim, &cr->sim_nodeid); in updateFromCommandLine()
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| H A D | legacymdrunoptions.cpp.preplumed | 165 MPI_Comm_split(MPI_COMM_WORLD, ms->sim, cr->sim_nodeid, &cr->mpi_comm_mysim);
167 MPI_Comm_rank(cr->mpi_comm_mysim, &cr->sim_nodeid);
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/ |
| H A D | domdec.cpp | 743 const int sim_nodeid) in dd_simnode2pmenode() argument
752 MPI_Cart_coords(cr->mpi_comm_mysim, sim_nodeid, DIM, coord); in dd_simnode2pmenode()
763 if (sim_nodeid < ddRankSetup.numPPRanks) in dd_simnode2pmenode()
775 if (sim_nodeid < ddRankSetup.numPPRanks) in dd_simnode2pmenode()
784 while (sim_nodeid > pmeRanks[i]) in dd_simnode2pmenode()
788 if (sim_nodeid < pmeRanks[i]) in dd_simnode2pmenode()
884 if (cr->sim_nodeid + 1 < cr->nnodes in receive_vir_ener()
1384 buf[dd_index(dd->numCells, dd->ci)] = cr->sim_nodeid; in make_pp_communicator()
1438 buf[dd_index(dd->numCells, dd->ci)] = cr->sim_nodeid; in receive_ddindex2simnodeid()
1538 cr->sim_nodeid = rank; in split_communicator()
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| H A D | dump.cpp | 167 sprintf(fname, "%s_%s_n%d.pdb", fn, gmx_step_str(step, buf), cr->sim_nodeid); in write_dd_pdb()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
| H A D | commrec.h | 82 int sim_nodeid, nnodes, npmenodes; member
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/ewald/ |
| H A D | pme_pp.cpp | 127 … fprintf(debug, "PP rank %d sending to PME rank %d: %d%s%s%s%s\n", cr->sim_nodeid, dd->pme_nodeid, in gmx_pme_send_coeffs_coords()
380 cr->sim_nodeid, cr->dd->pme_nodeid); in receive_virial_energy()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxlib/ |
| H A D | network.cpp | 92 cr->sim_nodeid = -1; in init_commrec()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
| H A D | constr.cpp | 277 sprintf(fname, "%s_n%d.pdb", fn, cr->sim_nodeid); in write_constr_pdb()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/ |
| H A D | runner.cpp | 1180 cr->sim_nodeid = cr->rankInDefaultCommunicator; in mdrunner()
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| /dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdrun/ |
| H A D | runner.cpp | 1190 cr->sim_nodeid = cr->rankInDefaultCommunicator; in mdrunner()
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| H A D | runner.cpp.preplumed | 1180 cr->sim_nodeid = cr->rankInDefaultCommunicator;
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