From 8fcc4a8c30190e4156e6e1dea931bf984fc892b5 Mon Sep 17 00:00:00 2001 From: ubuntu <3158793232@qq.com> Date: Mon, 5 Jan 2026 11:45:29 +0800 Subject: [PATCH] change reduce --- source/source_esolver/esolver_of.cpp | 2 +- source/source_estate/elecstate_energy_terms.cpp | 9 ++++++--- 2 files changed, 7 insertions(+), 4 deletions(-) diff --git a/source/source_esolver/esolver_of.cpp b/source/source_esolver/esolver_of.cpp index 5077ee8f2c..74474d1b7c 100644 --- a/source/source_esolver/esolver_of.cpp +++ b/source/source_esolver/esolver_of.cpp @@ -539,7 +539,7 @@ double ESolver_OF::cal_energy() this->pw_rho->nrxx, this->dV_); } - Parallel_Reduce::reduce_all(pseudopot_energy); + Parallel_Reduce::reduce_pool(pseudopot_energy); this->pelec->f_en.ekinetic = kinetic_energy; this->pelec->f_en.e_local_pp = pseudopot_energy; this->pelec->f_en.etot += kinetic_energy + pseudopot_energy; diff --git a/source/source_estate/elecstate_energy_terms.cpp b/source/source_estate/elecstate_energy_terms.cpp index 651fd494a2..c7bb4b55a5 100644 --- a/source/source_estate/elecstate_energy_terms.cpp +++ b/source/source_estate/elecstate_energy_terms.cpp @@ -45,10 +45,13 @@ double ElecState::get_local_pp_energy() for (int is = 0; is < PARAM.inp.nspin; ++is) { local_pseudopot_energy - += BlasConnector::dot(this->charge->rhopw->nrxx, this->pot->get_fixed_v(), 1, this->charge->rho[is], 1) - * this->charge->rhopw->omega / this->charge->rhopw->nxyz; + += BlasConnector::dot(this->charge->rhopw->nrxx, + this->pot->get_fixed_v(), + 1, + this->charge->rho[is], 1) + * this->charge->rhopw->omega / this->charge->rhopw->nxyz; } - Parallel_Reduce::reduce_all(local_pseudopot_energy); + Parallel_Reduce::reduce_pool(local_pseudopot_energy); return local_pseudopot_energy; }