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fix turbo_davidson

This commit is contained in:
Oscar Baseggio 2024-05-10 15:09:35 +02:00
parent de3035747f
commit 220419217a
1 changed files with 1 additions and 1 deletions
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LR_Modules/orthogonalize.f90
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@ -69,7 +69,7 @@ SUBROUTINE orthogonalize(dvpsi, evq, ikk, ikq, dpsi, npwq, dpsi_computed)
!
ALLOCATE(ps(nbnd,nbnd))
!
!$acc data copy(dvpsi,dpsi) create(ps(1:nbnd, 1:nbnd), ps_r(1:nbnd, 1:nbnd))
!$acc data present_or_copyin(evq) present_or_copy(dvpsi,dpsi) create(ps(1:nbnd, 1:nbnd), ps_r(1:nbnd, 1:nbnd))
IF (gamma_only) THEN
!$acc kernels
ps_r(:,:) = 0.0d0