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wrong indexing of threaded_backassignement corrected in ppcg_gamma

This commit is contained in:
Stefano De Gironcoli 2018-08-08 06:53:49 +02:00
parent 64cca07a92
commit 3ac492bb6e
1 changed files with 3 additions and 3 deletions
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6
KS_Solvers/PPCG/ppcg_gamma.f90
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@ -532,14 +532,14 @@ SUBROUTINE ppcg_gamma( h_psi, s_psi, overlap, precondition, &
call threaded_assign( buffer1, psi, npwx, l, col_idx )
CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
! psi(:,col_idx(1:l)) = buffer(:,1:l) + p(:,col_idx(1:l))
call threaded_backassign( psi, act_idx, buffer, npwx, l, p )
call threaded_backassign( psi, col_idx, buffer, npwx, l, p )
call stop_clock('ppcg:dgemm')
!
call start_clock('ppcg:dgemm')
call threaded_assign( buffer1, hpsi, npwx, l, col_idx )
CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
! hpsi(:,col_idx(1:l)) = buffer(:,1:l) + hp(:,col_idx(1:l))
call threaded_backassign( hpsi, act_idx, buffer, npwx, l, hp )
call threaded_backassign( hpsi, col_idx, buffer, npwx, l, hp )
call stop_clock('ppcg:dgemm')
!
if (overlap) then
@ -547,7 +547,7 @@ SUBROUTINE ppcg_gamma( h_psi, s_psi, overlap, precondition, &
call threaded_assign( buffer1, spsi, npwx, l, col_idx )
CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
! spsi(:,col_idx(1:l)) = buffer(:,1:l) + sp(:,col_idx(1:l))
call threaded_backassign( spsi, act_idx, buffer, npwx, l, sp )
call threaded_backassign( spsi, col_idx, buffer, npwx, l, sp )
call stop_clock('ppcg:dgemm')
end if
!