| /dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/ |
| H A D | box.h | 61 enum class DDRole; variable
72 void set_ddbox_cr(DDRole ddRole,
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| H A D | domdec_setup.h | 48 enum class DDRole; variable
109 DDRole ddRole,
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| H A D | domdec.cpp | 2053 DDRole ddRole, in getSystemInfo()
2165 if (ddRole == DDRole::Master) in getSystemInfo()
2245 DDRole ddRole, in checkDDGridSetup()
2263 gmx_fatal_collective(FARGS, communicator, ddRole == DDRole::Master, in checkDDGridSetup()
2283 FARGS, communicator, ddRole == DDRole::Master, in checkDDGridSetup()
2391 DDRole ddRole, in set_dd_limits()
2500 if (ddRole == DDRole::Master) in set_dd_limits()
2991 systemInfo_ = getSystemInfo(mdlog_, MASTER(cr_) ? DDRole::Master : DDRole::Agent, in Impl()
3006 getDDGridSetup(mdlog_, MASTER(cr_) ? DDRole::Master : DDRole::Agent, in Impl()
3009 checkDDGridSetup(ddGridSetup_, MASTER(cr_) ? DDRole::Master : DDRole::Agent, in Impl()
[all …]
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| H A D | box.cpp | 303 void set_ddbox_cr(DDRole ddRole, in set_ddbox_cr()
311 if (ddRole == DDRole::Master) in set_ddbox_cr()
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| H A D | domdec_setup.cpp | 892 DDRole ddRole, in getDDGridSetup()
918 if (ddRole == DDRole::Master) in getDDGridSetup()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
| H A D | boxdeformation.h | 54 enum class DDRole; variable
95 DDRole ddRole,
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| H A D | boxdeformation.cpp | 68 DDRole ddRole, in prepareBoxDeformation()
88 if (ddRole == DDRole::Master || numRanks != NumRanks::Multiple) in prepareBoxDeformation()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/ |
| H A D | disre.h | 63 enum class DDRole; variable
87 DDRole ddRole,
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| H A D | disre.cpp | 74 DDRole ddRole, in init_disres()
233 if (ddRole == DDRole::Master) in init_disres()
290 …if ((disResRunMode == DisResRunMode::MDRun) && ms && dd->nsystems > 1 && (ddRole == DDRole::Master… in init_disres()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
| H A D | commrec.h | 54 enum class DDRole enum
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/ |
| H A D | runner.cpp | 1050 MASTER(cr) ? DDRole::Master : DDRole::Agent, in mdrunner()
1059 … globalState != nullptr ? globalState->box : box, MASTER(cr) ? DDRole::Master : DDRole::Agent, 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 | 1060 MASTER(cr) ? DDRole::Master : DDRole::Agent, in mdrunner()
1069 … globalState != nullptr ? globalState->box : box, MASTER(cr) ? DDRole::Master : DDRole::Agent, in mdrunner()
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| H A D | runner.cpp.preplumed | 1050 MASTER(cr) ? DDRole::Master : DDRole::Agent,
1059 … globalState != nullptr ? globalState->box : box, MASTER(cr) ? DDRole::Master : DDRole::Agent,
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/ |
| H A D | gmx_disre.cpp | 809 init_disres(fplog, topInfo.mtop(), ir, DisResRunMode::AnalysisTool, DDRole::Master, in gmx_disre()
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