fix an bad bug with per atom tallied properties.
2b5244f08651
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 23 2010, 01:07.

Description

fix an bad bug with per atom tallied properties.

ev_reduce_thr() must only be called when EVFLAG
is true. otherwise the ev_setup_thr() has not
been run and enlarged the per-atom energy and
virial arrays, so that we get a segfault when
reducing them. this could also give a little
performance improvement since now ev_reduce_thr()
is only called when energies are computed and tallied.

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jun 23 2010, 01:07

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS96f43df6172b: update makefiles

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS2b5244f08651: fix an bad bug with per atom tallied properties. (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 23 2010, 01:07

Changes (45)

				Path
	M			src/USER-OPENMP/pair_airebo_omp.cpp
	M			src/USER-OPENMP/pair_born_coul_long_omp.cpp
	M			src/USER-OPENMP/pair_buck_coul_cut_omp.cpp
	M			src/USER-OPENMP/pair_buck_coul_long_omp.cpp
	M			src/USER-OPENMP/pair_buck_omp.cpp
	M			src/USER-OPENMP/pair_cg_cmm_omp.cpp
	M			src/USER-OPENMP/pair_colloid_omp.cpp
	M			src/USER-OPENMP/pair_coul_cut_omp.cpp
	M			src/USER-OPENMP/pair_coul_debye_omp.cpp
	M			src/USER-OPENMP/pair_coul_diel_omp.cpp
	M			src/USER-OPENMP/pair_coul_long_omp.cpp
	M			src/USER-OPENMP/pair_dipole_cut_omp.cpp
	M			src/USER-OPENMP/pair_dpd_omp.cpp
	M			src/USER-OPENMP/pair_dpd_tstat_omp.cpp
	M			src/USER-OPENMP/pair_eam_omp.cpp
	M			src/USER-OPENMP/pair_gauss_cut_omp.cpp
	M			src/USER-OPENMP/pair_gayberne_omp.cpp
	M			src/USER-OPENMP/pair_gran_hertz_history_omp.cpp
	M			src/USER-OPENMP/pair_gran_hooke_history_omp.cpp
	M			src/USER-OPENMP/pair_gran_hooke_omp.cpp
	M			src/USER-OPENMP/pair_lj96_cut_omp.cpp
	M			src/USER-OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
	M			src/USER-OPENMP/pair_lj_charmm_coul_charmm_omp.cpp
	M			src/USER-OPENMP/pair_lj_charmm_coul_long_omp.cpp
	M			src/USER-OPENMP/pair_lj_class2_coul_cut_omp.cpp
	M			src/USER-OPENMP/pair_lj_class2_coul_long_omp.cpp
	M			src/USER-OPENMP/pair_lj_class2_omp.cpp
	M			src/USER-OPENMP/pair_lj_cut_coul_cut_omp.cpp
	M			src/USER-OPENMP/pair_lj_cut_coul_debye_omp.cpp
	M			src/USER-OPENMP/pair_lj_cut_coul_long_omp.cpp
	M			src/USER-OPENMP/pair_lj_cut_omp.cpp
	M			src/USER-OPENMP/pair_lj_expand_omp.cpp
	M			src/USER-OPENMP/pair_lj_gromacs_coul_gromacs_omp.cpp
	M			src/USER-OPENMP/pair_lj_gromacs_omp.cpp
	M			src/USER-OPENMP/pair_lj_smooth_omp.cpp
	M			src/USER-OPENMP/pair_lubricate_omp.cpp
	M			src/USER-OPENMP/pair_morse_omp.cpp
	M			src/USER-OPENMP/pair_omp.cpp
	M			src/USER-OPENMP/pair_resquared_omp.cpp
	M			src/USER-OPENMP/pair_soft_omp.cpp
	M			src/USER-OPENMP/pair_sw_omp.cpp
	M			src/USER-OPENMP/pair_table_omp.cpp
	M			src/USER-OPENMP/pair_tersoff_omp.cpp
	M			src/USER-OPENMP/pair_yukawa_colloid_omp.cpp
	M			src/USER-OPENMP/pair_yukawa_omp.cpp

fix an bad bug with per atom tallied properties.2b5244f08651Actions

Description

Details

Event Timeline

Changes (45)

rLAMMPS2b5244f08651

src/USER-OPENMP/pair_airebo_omp.cpp

src/USER-OPENMP/pair_born_coul_long_omp.cpp

src/USER-OPENMP/pair_buck_coul_cut_omp.cpp

src/USER-OPENMP/pair_buck_coul_long_omp.cpp

src/USER-OPENMP/pair_buck_omp.cpp

src/USER-OPENMP/pair_cg_cmm_omp.cpp

src/USER-OPENMP/pair_colloid_omp.cpp

src/USER-OPENMP/pair_coul_cut_omp.cpp

src/USER-OPENMP/pair_coul_debye_omp.cpp

src/USER-OPENMP/pair_coul_diel_omp.cpp

src/USER-OPENMP/pair_coul_long_omp.cpp

src/USER-OPENMP/pair_dipole_cut_omp.cpp

src/USER-OPENMP/pair_dpd_omp.cpp

src/USER-OPENMP/pair_dpd_tstat_omp.cpp

src/USER-OPENMP/pair_eam_omp.cpp

src/USER-OPENMP/pair_gauss_cut_omp.cpp

src/USER-OPENMP/pair_gayberne_omp.cpp

src/USER-OPENMP/pair_gran_hertz_history_omp.cpp

src/USER-OPENMP/pair_gran_hooke_history_omp.cpp

src/USER-OPENMP/pair_gran_hooke_omp.cpp

src/USER-OPENMP/pair_lj96_cut_omp.cpp

src/USER-OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp

src/USER-OPENMP/pair_lj_charmm_coul_charmm_omp.cpp

src/USER-OPENMP/pair_lj_charmm_coul_long_omp.cpp

src/USER-OPENMP/pair_lj_class2_coul_cut_omp.cpp

src/USER-OPENMP/pair_lj_class2_coul_long_omp.cpp

src/USER-OPENMP/pair_lj_class2_omp.cpp

src/USER-OPENMP/pair_lj_cut_coul_cut_omp.cpp

src/USER-OPENMP/pair_lj_cut_coul_debye_omp.cpp

src/USER-OPENMP/pair_lj_cut_coul_long_omp.cpp

src/USER-OPENMP/pair_lj_cut_omp.cpp

src/USER-OPENMP/pair_lj_expand_omp.cpp

src/USER-OPENMP/pair_lj_gromacs_coul_gromacs_omp.cpp

src/USER-OPENMP/pair_lj_gromacs_omp.cpp

src/USER-OPENMP/pair_lj_smooth_omp.cpp

src/USER-OPENMP/pair_lubricate_omp.cpp

src/USER-OPENMP/pair_morse_omp.cpp

src/USER-OPENMP/pair_omp.cpp

src/USER-OPENMP/pair_resquared_omp.cpp

src/USER-OPENMP/pair_soft_omp.cpp

src/USER-OPENMP/pair_sw_omp.cpp

src/USER-OPENMP/pair_table_omp.cpp

src/USER-OPENMP/pair_tersoff_omp.cpp

src/USER-OPENMP/pair_yukawa_colloid_omp.cpp

src/USER-OPENMP/pair_yukawa_omp.cpp

fix an bad bug with per atom tallied properties.
2b5244f08651
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