/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | mp_bands.f90 | 25 INTEGER :: my_bgrp_id = 0 ! index of my band group variable 85 my_bgrp_id = parent_mype / nproc_bgrp 95 CALL mp_comm_split( parent_comm, my_bgrp_id, parent_mype, intra_bgrp_comm )
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H A D | electrons_base.f90 | 408 SUBROUTINE distribute_bands( nbgrp, my_bgrp_id ) argument 409 INTEGER, INTENT(IN) :: nbgrp, my_bgrp_id local 424 nupdwn_bgrp( iss ) = ldim_block( nupdwn( iss ), nbgrp, my_bgrp_id ) 425 i2gupdwn_bgrp( iss ) = gind_block( 1, nupdwn( iss ), nbgrp, my_bgrp_id )
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H A D | mp_exx.f90 | 13 USE mp_bands, ONLY : nbgrp, nproc_bgrp, me_bgrp, root_bgrp, my_bgrp_id, & 133 my_bgrp_id = my_egrp_id
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/dports/science/quantum-espresso/q-e-qe-6.7.0/UtilXlib/ |
H A D | set_mpi_comm_4_solvers.f90 | 50 my_bgrp_id = parent_mype / nproc_bgrp 66 my_bgrp_id = 0
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H A D | mp_bands_util.f90 | 25 INTEGER :: my_bgrp_id = 0 ! index of my band group variable
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | remove_atomic_rho.f90 | 20 USE mp_bands, ONLY: my_bgrp_id, root_bgrp_id, & 38 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) &
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H A D | update_pot.f90 | 396 USE mp_bands, ONLY : my_bgrp_id, root_bgrp_id, root_bgrp, & 479 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 494 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 503 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 507 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 528 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 532 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 540 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 544 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) &
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H A D | io_rho_xml.f90 | 40 USE mp_bands, ONLY : my_bgrp_id, root_bgrp_id, & 63 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) & 71 IF ( my_pool_id == 0 .AND. my_bgrp_id == root_bgrp_id ) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
H A D | newd.f90 | 32 my_bgrp_id, nbgrp 97 …IF( ( dfftb%np3( ia ) <= 0 ) .OR. ( dfftb%np2( ia ) <= 0 ) .OR. ( my_bgrp_id /= MOD( ia, nbgrp ) … 190 …IF ( ( dfftb%np3( ia ) <= 0 ) .OR. ( dfftb%np2( ia ) <= 0 ) .OR. ( my_bgrp_id /= MOD( ia, nbgrp ) … 274 …IF ( ( dfftb%np3( ia ) <= 0 ) .OR. ( dfftb%np2( ia ) <= 0 ) .OR. ( my_bgrp_id /= MOD( ia, nbgrp ) …
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H A D | ksstates.f90 | 145 USE mp_bands, ONLY: intra_bgrp_comm, inter_bgrp_comm, my_bgrp_id,& 179 IF ( my_bgrp_id == root_bgrp_id ) CALL write_rhog &
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H A D | ortho_base.f90 | 190 root_bgrp, my_bgrp_id, nbgrp 593 USE mp_bands, ONLY: intra_bgrp_comm, inter_bgrp_comm, my_bgrp_id, nbgrp 653 IF( MOD( root , nbgrp ) == my_bgrp_id ) THEN 734 USE mp_bands, ONLY: intra_bgrp_comm, me_bgrp, inter_bgrp_comm, my_bgrp_id, nbgrp 799 IF( MOD( root , nbgrp ) == my_bgrp_id ) THEN 877 USE mp_bands, ONLY: intra_bgrp_comm, inter_bgrp_comm, my_bgrp_id, nbgrp 942 IF( MOD( root , nbgrp ) == my_bgrp_id ) THEN
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H A D | ortho.f90 | 18 …USE mp_global, ONLY: nproc_bgrp, me_bgrp, intra_bgrp_comm, my_bgrp_id, inter_bgrp_comm, n… 176 IF( my_bgrp_id == 0 ) THEN
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/ParO/ |
H A D | paro_k.f90 | 49 USE mp_bands_util, ONLY : my_bgrp_id, inter_bgrp_comm 150 IF (my_bgrp_id==0) nhpsi = nhpsi + ndiag
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H A D | paro_gamma.f90 | 49 USE mp_bands_util, ONLY : my_bgrp_id, inter_bgrp_comm 152 IF (my_bgrp_id==0) nhpsi = nhpsi + ndiag
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H A D | paro_gamma_new.f90 | 49 USE mp_bands_util, ONLY : inter_bgrp_comm, nbgrp, my_bgrp_id 107 nhpsi = 0 ; IF (my_bgrp_id==0) nhpsi = nbnd
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H A D | paro_k_new.f90 | 49 USE mp_bands_util, ONLY : inter_bgrp_comm, nbgrp, my_bgrp_id 107 nhpsi = 0 ; IF (my_bgrp_id==0) nhpsi = nbnd
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | el_opt.f90 | 31 USE mp_bands, ONLY: my_bgrp_id, intra_bgrp_comm 104 if (my_bgrp_id .ne. 0) goto 100
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/DENSE/ |
H A D | rotate_wfc_gamma.f90 | 19 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id, & 162 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id 260 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nstart, hr, sr, nx, en, vr, idesc )
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H A D | rotate_wfc_k.f90 | 17 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id, & 155 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id 256 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nstart, hc, sc, nx, en, vc, idesc )
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H A D | rotate_HSpsi_gamma.f90 | 19 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id, & 194 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id 288 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nstart, hh, ss, nx, en, vv, idesc )
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H A D | rotate_HSpsi_k.f90 | 17 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id, & 199 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id 296 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nstart, hh, ss, nx, en, vv, idesc )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_charg_resp.f90 | 957 nproc_bgrp, intra_bgrp_comm, my_bgrp_id 1040 IF ( ionode ) iopool_id = my_bgrp_id 1086 IF ( my_bgrp_id == iopool_id ) & 1207 nproc_bgrp, intra_bgrp_comm, my_bgrp_id 1261 IF ( ionode ) iopool_id = my_bgrp_id 1309 IF ( kowner(i3) /= ionode_pool .and. my_bgrp_id == iopool_id ) & 1409 intra_bgrp_comm, my_bgrp_id 1491 IF ( ionode ) iopool_id = my_bgrp_id 1538 IF ( kowner(i3) /= ionode_pool .and. my_bgrp_id == iopool_id ) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/Davidson_RCI/ |
H A D | david_rci.f90 | 16 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id, & 255 IF( my_bgrp_id == root_bgrp_id ) THEN 428 IF( my_bgrp_id == root_bgrp_id ) THEN
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/Davidson/ |
H A D | regterg.f90 | 28 nbgrp, my_bgrp_id, me_bgrp, root_bgrp 211 IF( my_bgrp_id == root_bgrp_id ) THEN 372 IF( my_bgrp_id == root_bgrp_id ) THEN 521 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id 742 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nbase, hl, sl, nx, ew, vl, idesc ) 870 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nbase, hl, sl, nx, ew, vl, idesc )
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H A D | cegterg.f90 | 26 nbgrp, my_bgrp_id, me_bgrp, root_bgrp 247 IF( my_bgrp_id == root_bgrp_id ) THEN 445 IF( my_bgrp_id == root_bgrp_id ) THEN 594 USE mp_bands_util, ONLY : intra_bgrp_comm, inter_bgrp_comm, root_bgrp_id, nbgrp, my_bgrp_id 823 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nbase, hl, sl, nx, ew, vl, idesc ) 966 IF( my_bgrp_id == root_bgrp_id ) CALL pdiaghg( nbase, hl, sl, nx, ew, vl, idesc )
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