From 426569a7ed65cb2c36005141a273c6bd6e9e65d2 Mon Sep 17 00:00:00 2001 From: Paolo Giannozzi Date: Wed, 20 Feb 2019 18:47:53 +0100 Subject: [PATCH] Added missing initialization of "diag" group parallelism for LAXlib (used in the nscf calculation) --- HP/src/hp_main.f90 | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/HP/src/hp_main.f90 b/HP/src/hp_main.f90 index 64878c336..a88e73259 100644 --- a/HP/src/hp_main.f90 +++ b/HP/src/hp_main.f90 @@ -15,6 +15,11 @@ PROGRAM hp_main USE io_global, ONLY : stdout, ionode USE check_stop, ONLY : check_stop_init USE mp_global, ONLY : mp_startup, mp_global_end + USE mp_world, ONLY : world_comm + USE mp_pools, ONLY : intra_pool_comm + USE mp_bands, ONLY : intra_bgrp_comm, inter_bgrp_comm + USE mp_diag, ONLY : mp_start_diag + USE command_line_options, ONLY : input_file_, ndiag_ USE environment, ONLY : environment_start, environment_end USE ions_base, ONLY : nat, ityp, atm, tau, amass USE io_files, ONLY : tmp_dir @@ -29,9 +34,11 @@ PROGRAM hp_main ! ! Initialize MPI, clocks, print initial messages ! -#if defined (__MPI) CALL mp_startup() -#endif + CALL mp_start_diag ( ndiag_, world_comm, intra_bgrp_comm, & + do_distr_diag_inside_bgrp_ = .true. ) + CALL set_mpi_comm_4_solvers( intra_pool_comm, intra_bgrp_comm, & + inter_bgrp_comm ) ! CALL environment_start(code) ! @@ -219,9 +226,8 @@ PROGRAM hp_main ! CALL environment_end(code) ! -#if defined (__MPI) + CALL unset_mpi_comm_4_solvers() CALL mp_global_end() -#endif ! 3336 FORMAT(' ',69('=')) !