From 4d1a7c9787159909b46fe487491c8060b87c2a89 Mon Sep 17 00:00:00 2001
From: Paolo Giannozzi <p.giannozzi@gmail.com>
Date: Sat, 1 May 2021 14:30:38 +0200
Subject: [PATCH] Atomic starting wavefunctions can be computed on GPU: the
 code already exists.

---
 PW/src/wfcinit_gpu.f90 | 8 +-------
 1 file changed, 1 insertion(+), 7 deletions(-)

diff --git a/PW/src/wfcinit_gpu.f90 b/PW/src/wfcinit_gpu.f90
index bd41d6e94..a684cbc8a 100644
--- a/PW/src/wfcinit_gpu.f90
+++ b/PW/src/wfcinit_gpu.f90
@@ -238,7 +238,6 @@ SUBROUTINE init_wfc_gpu ( ik )
   REAL(DP), ALLOCATABLE :: etatom_d(:) ! atomic eigenvalues
   !
   COMPLEX(DP), ALLOCATABLE :: wfcatom_d(:,:,:) ! atomic wfcs for initialization (device)
-  COMPLEX(DP), ALLOCATABLE :: wfcatom_h(:,:,:) ! atomic wfcs for initialization (host)
   REAL(DP),    ALLOCATABLE :: randy_d(:) ! data for random
   !
   ! Auxiliary variables for CUDA version
@@ -273,15 +272,10 @@ SUBROUTINE init_wfc_gpu ( ik )
   !
   IF ( starting_wfc(1:6) == 'atomic' ) THEN
      !
-     ALLOCATE( wfcatom_h( npwx, npol, n_starting_wfc ) )
      CALL start_clock_gpu( 'wfcinit:atomic' ); !write(*,*) 'start wfcinit:atomic' ; FLUSH(6)
-     CALL atomic_wfc( ik, wfcatom_h )
+     CALL atomic_wfc_gpu( ik, wfcatom_d )
      CALL stop_clock_gpu( 'wfcinit:atomic' ); !write(*,*) 'stop wfcinit:atomic' ; FLUSH(6)
      !
-     ! Sync to GPU
-     wfcatom_d = wfcatom_h
-     DEALLOCATE( wfcatom_h )
-     !
      IF ( starting_wfc == 'atomic+random' .AND. &
          n_starting_wfc == n_starting_atomic_wfc ) THEN
          !