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Searched refs:grpp (Results 1 – 25 of 40) sorted by relevance

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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Denerdata_utils.cpp84 grpp(numEnergyGroups), in gmx_enerdata_t()
104 void sum_epot(const gmx_grppairener_t& grpp, real* epot) in sum_epot() argument
109 epot[F_COUL_SR] = sum_v(grpp.nener, grpp.ener[egCOULSR]); in sum_epot()
110 epot[F_LJ] = sum_v(grpp.nener, grpp.ener[egLJSR]); in sum_epot()
111 epot[F_LJ14] = sum_v(grpp.nener, grpp.ener[egLJ14]); in sum_epot()
112 epot[F_COUL14] = sum_v(grpp.nener, grpp.ener[egCOUL14]); in sum_epot()
117 epot[F_BHAM] = sum_v(grpp.nener, grpp.ener[egBHAMSR]); in sum_epot()
221 sum_epot(enerd->grpp, enerd->term); in accumulatePotentialEnergies()
311 for (j = 0; (j < enerd->grpp.nener); j++) in reset_foreign_enerdata()
340 for (j = 0; (j < enerd->grpp.nener); j++) in reset_enerdata()
[all …]
H A Dstat.cpp258 inn[j] = add_binr(rb, enerd->grpp.nener, enerd->grpp.ener[j].data()); in global_stat()
354 extract_binr(rb, inn[j], enerd->grpp.nener, enerd->grpp.ener[j].data()); in global_stat()
H A Denerdata_utils.h61 void sum_epot(const gmx_grppairener_t& grpp, real* epot);
H A Dsim_util.cpp771 nbv->gpu_nbv, stepWork, AtomLocality::Local, enerd->grpp.ener[egLJSR].data(), in alternatePmeNbGpuWaitReduce()
772 enerd->grpp.ener[egCOULSR].data(), forceBuffersNonbonded.shiftForces(), in alternatePmeNbGpuWaitReduce()
1734 enerd->grpp.ener[egLJSR].data(), nrnb); in do_force()
1824 … nbv->gpu_nbv, stepWork, AtomLocality::NonLocal, enerd->grpp.ener[egLJSR].data(), in do_force()
1825 … enerd->grpp.ener[egCOULSR].data(), forceWithShiftForces.shiftForces(), wcycle); in do_force()
1954 nbv->gpu_nbv, stepWork, AtomLocality::Local, enerd->grpp.ener[egLJSR].data(), in do_force()
1955 enerd->grpp.ener[egCOULSR].data(), in do_force()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2019.6.diff/src/gromacs/mdlib/
H A Dforce.cpp240 &enerd->grpp, nrnb, in do_force_lowlevel()
633 enerd->grpp.nener = n2; in init_enerdata()
637 snew(enerd->grpp.ener[i], n2); in init_enerdata()
658 sfree(enerd->grpp.ener[i]); in destroy_enerdata()
691 epot[F_COUL_SR] = sum_v(grpp->nener, grpp->ener[egCOULSR]); in sum_epot()
692 epot[F_LJ] = sum_v(grpp->nener, grpp->ener[egLJSR]); in sum_epot()
693 epot[F_LJ14] = sum_v(grpp->nener, grpp->ener[egLJ14]); in sum_epot()
694 epot[F_COUL14] = sum_v(grpp->nener, grpp->ener[egCOUL14]); in sum_epot()
699 epot[F_BHAM] = sum_v(grpp->nener, grpp->ener[egBHAMSR]); in sum_epot()
828 for (j = 0; (j < enerd->grpp.nener); j++) in reset_foreign_enerdata()
[all …]
H A Dforce.cpp.preplumed234 &enerd->grpp, nrnb,
620 enerd->grpp.nener = n2;
624 snew(enerd->grpp.ener[i], n2);
645 sfree(enerd->grpp.ener[i]);
678 epot[F_COUL_SR] = sum_v(grpp->nener, grpp->ener[egCOULSR]);
679 epot[F_LJ] = sum_v(grpp->nener, grpp->ener[egLJSR]);
680 epot[F_LJ14] = sum_v(grpp->nener, grpp->ener[egLJ14]);
681 epot[F_COUL14] = sum_v(grpp->nener, grpp->ener[egCOUL14]);
686 epot[F_BHAM] = sum_v(grpp->nener, grpp->ener[egBHAMSR]);
815 for (j = 0; (j < enerd->grpp.nener); j++)
[all …]
/dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/
H A Dlisted_forces.cpp224 for (int j = 0; j < f_t->grpp.nener; j++) in zero_thread_output()
226 f_t->grpp.ener[i][j] = 0; in zero_thread_output()
300 gmx_grppairener_t* grpp, in reduce_thread_output() argument
341 for (int j = 0; j < f_t[1]->grpp.nener; j++) in reduce_thread_output()
345 grpp->ener[i][j] += f_t[t]->grpp.ener[i][j]; in reduce_thread_output()
415 gmx_grppairener_t* grpp, in calc_one_bond() argument
477 md, fr, havePerturbedInteractions, stepWork, grpp, global_atom_index); in calc_one_bond()
518 gmx_grppairener_t* grpp; in calcBondedForces() local
531 grpp = &enerd->grpp; in calcBondedForces()
538 grpp = &threadBuffers.grpp; in calcBondedForces()
[all …]
H A Dlisted_internal.h118 gmx_grppairener_t grpp; member
H A Dgpubonded_impl.cu330 gmx_grppairener_t* grppener = &enerd->grpp; in waitAccumulateEnergyTerms()
H A Dmanage_threading.cpp490 f_thread_t::f_thread_t(int numEnergyGroups) : fshift(SHIFTS), grpp(numEnergyGroups) {} in f_thread_t()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/
H A Dkerneldispatch.cpp436 clearF, enerd->grpp.ener[egCOULSR].data(), in dispatchNonbondedKernel()
437 … fr.bBHAM ? enerd->grpp.ener[egBHAMSR].data() : enerd->grpp.ener[egLJSR].data(), in dispatchNonbondedKernel()
448 nbat->out[0].f, nbat->out[0].fshift.data(), enerd->grpp.ener[egCOULSR].data(), in dispatchNonbondedKernel()
449 fr.bBHAM ? enerd->grpp.ener[egBHAMSR].data() : enerd->grpp.ener[egLJSR].data()); in dispatchNonbondedKernel()
500 kernel_data.energygrp_elec = enerd->grpp.ener[egCOULSR].data(); in dispatchFreeEnergyKernel()
501 kernel_data.energygrp_vdw = enerd->grpp.ener[egLJSR].data(); in dispatchFreeEnergyKernel()
/dports/sysutils/bareos-server/bareos-Release-20.0.3/core/src/droplet/libdroplet/src/backend/posix/
H A Dreplyparser.c108 struct group grp, *grpp; in dpl_posix_get_metadatum_from_value() local
112 iret = getgrgid_r(gid, &grp, buf, sizeof(buf), &grpp); in dpl_posix_get_metadatum_from_value()
118 snprintf(sysmdp->group, sizeof(sysmdp->group), "%s", grpp->gr_name); in dpl_posix_get_metadatum_from_value()
/dports/sysutils/bareos-client/bareos-Release-20.0.3/core/src/droplet/libdroplet/src/backend/posix/
H A Dreplyparser.c108 struct group grp, *grpp; in dpl_posix_get_metadatum_from_value() local
112 iret = getgrgid_r(gid, &grp, buf, sizeof(buf), &grpp); in dpl_posix_get_metadatum_from_value()
118 snprintf(sysmdp->group, sizeof(sysmdp->group), "%s", grpp->gr_name); in dpl_posix_get_metadatum_from_value()
/dports/sysutils/bareos-traymonitor/bareos-Release-20.0.3/core/src/droplet/libdroplet/src/backend/posix/
H A Dreplyparser.c108 struct group grp, *grpp; in dpl_posix_get_metadatum_from_value() local
112 iret = getgrgid_r(gid, &grp, buf, sizeof(buf), &grpp); in dpl_posix_get_metadatum_from_value()
118 snprintf(sysmdp->group, sizeof(sysmdp->group), "%s", grpp->gr_name); in dpl_posix_get_metadatum_from_value()
/dports/www/bareos-webui/bareos-Release-20.0.3/core/src/droplet/libdroplet/src/backend/posix/
H A Dreplyparser.c108 struct group grp, *grpp; in dpl_posix_get_metadatum_from_value() local
112 iret = getgrgid_r(gid, &grp, buf, sizeof(buf), &grpp); in dpl_posix_get_metadatum_from_value()
118 snprintf(sysmdp->group, sizeof(sysmdp->group), "%s", grpp->gr_name); in dpl_posix_get_metadatum_from_value()
/dports/devel/nss_wrapper/nss_wrapper-1.1.3/tests/
H A Dtestsuite.c324 struct group grp, *grpp; in test_nwrap_getgrnam_r() local
330 ret = getgrnam_r(name, &grp, buffer, sizeof(buffer), &grpp); in test_nwrap_getgrnam_r()
374 struct group grp, *grpp; in test_nwrap_getgrgid_r() local
380 ret = getgrgid_r(gid, &grp, buffer, sizeof(buffer), &grpp); in test_nwrap_getgrgid_r()
601 struct group grp, *grpp; in test_nwrap_enum_r_group() local
614 grpp = getgrent_r(&grp, buffer, sizeof(buffer)); in test_nwrap_enum_r_group()
615 if (grpp == NULL) { in test_nwrap_enum_r_group()
619 ret = getgrent_r(&grp, buffer, sizeof(buffer), &grpp); in test_nwrap_enum_r_group()
/dports/net/samba412/samba-4.12.15/source4/torture/local/
H A Dnss_tests.c230 struct group grp, *grpp; in test_getgrnam_r() local
236 ret = getgrnam_r(name, &grp, buffer, sizeof(buffer), &grpp); in test_getgrnam_r()
280 struct group grp, *grpp; in test_getgrgid_r() local
286 ret = getgrgid_r(gid, &grp, buffer, sizeof(buffer), &grpp); in test_getgrgid_r()
540 struct group grp, *grpp; in test_enum_r_group() local
556 ret = getgrent_r(&grp, buffer, sizeof(buffer), &grpp); in test_enum_r_group()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Denerdata.h200 struct gmx_grppairener_t grpp; member
/dports/x11-fm/worker/worker-4.10.0/src/
H A Dchmodowncore.cc1014 struct group *grpp; in buildOwnerRequestInfos() local
1034 grpp = getgrent(); in buildOwnerRequestInfos()
1035 while ( grpp != NULL ) { in buildOwnerRequestInfos()
1037 elem->name = dupstring( grpp->gr_name ); in buildOwnerRequestInfos()
1038 elem->id.gid = grpp->gr_gid; in buildOwnerRequestInfos()
1040 grpp = getgrent(); in buildOwnerRequestInfos()
/dports/math/vtk8/VTK-8.2.0/ThirdParty/netcdf/vtknetcdf/libsrc4/
H A Dnc4internal.c251 nc4_find_grp_h5(int ncid, NC_GRP_INFO_T **grpp, NC_HDF5_FILE_INFO_T **h5p) in nc4_find_grp_h5() argument
269 if(grpp) *grpp = grp; in nc4_find_grp_h5()
274 nc4_find_nc_grp_h5(int ncid, NC **nc, NC_GRP_INFO_T **grpp, in nc4_find_nc_grp_h5() argument
297 if(grpp) *grpp = grp; in nc4_find_nc_grp_h5()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdlib/
H A Dsim_util.cpp777 nbv->gpu_nbv, stepWork, AtomLocality::Local, enerd->grpp.ener[egLJSR].data(), in alternatePmeNbGpuWaitReduce()
778 enerd->grpp.ener[egCOULSR].data(), forceBuffersNonbonded.shiftForces(), in alternatePmeNbGpuWaitReduce()
1733 enerd->grpp.ener[egLJSR].data(), nrnb); in do_force()
1831 … nbv->gpu_nbv, stepWork, AtomLocality::NonLocal, enerd->grpp.ener[egLJSR].data(), in do_force()
1832 … enerd->grpp.ener[egCOULSR].data(), forceWithShiftForces.shiftForces(), wcycle); in do_force()
1961 nbv->gpu_nbv, stepWork, AtomLocality::Local, enerd->grpp.ener[egLJSR].data(), in do_force()
1962 enerd->grpp.ener[egCOULSR].data(), in do_force()
/dports/devel/hadoop2/hadoop-2.7.2-src/hadoop-common-project/hadoop-common/src/main/native/src/org/apache/hadoop/io/nativeio/
H A DNativeIO.c844 struct group grp, *grpp; in Java_org_apache_hadoop_io_nativeio_NativeIO_00024POSIX_getGroupName() local
845 while ((rc = getgrgid_r((uid_t)gid, &grp, pw_buf, pw_buflen, &grpp)) != 0) { in Java_org_apache_hadoop_io_nativeio_NativeIO_00024POSIX_getGroupName()
857 if (grpp == NULL) { in Java_org_apache_hadoop_io_nativeio_NativeIO_00024POSIX_getGroupName()
863 if (grpp != &grp) { in Java_org_apache_hadoop_io_nativeio_NativeIO_00024POSIX_getGroupName()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/
H A Dtpi.cpp831 sum_UgembU[e++] += enerd->grpp.ener[egBHAMSR][GID(i, gid_tp, ngid)] * embU; in do_tpi()
838 sum_UgembU[e++] += enerd->grpp.ener[egLJSR][GID(i, gid_tp, ngid)] * embU; in do_tpi()
849 sum_UgembU[e++] += enerd->grpp.ener[egCOULSR][GID(i, gid_tp, ngid)] * embU; in do_tpi()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/
H A Denergyoutput.cpp424 for (int i = 0; i < enerdata_->grpp.nener; i++) in setStepData()
428 enerdata_->grpp.ener[k][i] = (*testValue += 0.1); in setStepData()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdlib/
H A Dforce.cpp144 enerd->grpp.ener[egLJSR].data(), nrnb); in do_force_lowlevel()

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