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quantum-espresso
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When pw was run with different nproc and twfcollect was not true, the code was still running without giving error and was executing wrongly with missing data.Thanks to Hande Toffoli for reporting. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11773 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
kucukben 2015-10-02 13:05:17 +00:00
parent f032c37592
commit 61b62ae6bf
1 changed files with 7 additions and 2 deletions
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9
PP/src/projwfc.f90
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@ -24,10 +24,11 @@ PROGRAM do_projwfc
USE noncollin_module, ONLY : noncolin
USE mp, ONLY : mp_bcast
USE mp_world, ONLY : world_comm
USE mp_global, ONLY : mp_startup, nproc_ortho
USE mp_global, ONLY : mp_startup, nproc_ortho, nproc_pool, nproc_pool_file
USE environment,ONLY : environment_start, environment_end
USE wvfct, ONLY : et, nbnd
USE basis, ONLY : natomwfc
USE control_flags, ONLY: twfcollect
!
IMPLICIT NONE
!
@ -125,6 +126,10 @@ PROGRAM do_projwfc
!
IF(lgww) CALL get_et_from_gww ( nbnd, et )
!
IF (nproc_pool /= nproc_pool_file .and. .not. twfcollect) &
CALL errore('projwfc',&
'pw.x run with a different number of procs/pools. Use wf_collect=.true.',1)
!
CALL openfil_pp ( )
!
! decide Gaussian broadening
@ -1566,7 +1571,7 @@ SUBROUTINE pprojwave( filproj, lsym, lwrite_ovp, lbinary )
USE io_files, ONLY: nd_nmbr, prefix, tmp_dir, nwordwfc, iunwfc
USE spin_orb, ONLY: lspinorb
USE mp, ONLY: mp_bcast
USE mp_global, ONLY : npool, nproc_pool, me_pool, root_pool, &
USE mp_global, ONLY : npool, me_pool, root_pool, &
intra_pool_comm, me_image, &
ortho_comm, np_ortho, me_ortho, ortho_comm_id, &
leg_ortho