hsmt_nonsph: change the explicit data copy into the implicit one

eigen/hsmt_nonsph.F90

@@ -29,7 +29,7 @@ CONTAINS
     INTEGER, INTENT (IN)          :: n,isp,iintsp,jintsp
     COMPLEX,INTENT(IN)            :: chi
     !     .. Array Arguments ..
-    REAL,INTENT(IN)               :: fj(:,0:,:),gj(:,0:,:)
+    REAL,INTENT(IN)            :: fj(:,0:,:),gj(:,0:,:)
     CLASS(t_mat),INTENT(INOUT)     ::hmat
 #if defined CPP_GPU
     REAL,   ALLOCATABLE,DEVICE :: fj_dev(:,:,:), gj_dev(:,:,:)
@@ -90,7 +90,6 @@ CONTAINS
     INTEGER:: nn,na,ab_size,l,ll,m
     real :: rchi
     COMPLEX,ALLOCATABLE,DEVICE :: ab1_dev(:,:), ab_dev(:,:), ab2_dev(:,:)
-    COMPLEX,ALLOCATABLE,DEVICE :: c_dev(:,:)
     integer :: i, j, istat
     call nvtxStartRange("hsmt_nonsph",1)    
 
@@ -105,8 +104,6 @@ CONTAINS
        ENDIF
        hmat%data_c=0.0
     ENDIF
-    ALLOCATE(c_dev(SIZE(hmat%data_c,1),SIZE(hmat%data_c,2)))
-    c_dev = hmat%data_c
 
     DO nn = 1,atoms%neq(n)
        na = SUM(atoms%neq(:n-1))+nn
@@ -121,7 +118,7 @@ CONTAINS
           !ab1=MATMUL(ab(:lapw%nv(iintsp),:ab_size),td%h_loc(:ab_size,:ab_size,n,isp))
           IF (iintsp==jintsp) THEN
              call nvtxStartRange("zherk",3)
-             CALL ZHERK("U","N",lapw%nv(iintsp),ab_size,Rchi,ab1_dev,SIZE(ab1_dev,1),1.0,c_dev,SIZE(c_dev,1))
+             CALL ZHERK("U","N",lapw%nv(iintsp),ab_size,Rchi,ab1_dev,SIZE(ab1_dev,1),1.0,hmat%data_c,SIZE(hmat%data_c,1))
              istat = cudaDeviceSynchronize() 
              call nvtxEndRange()    
           ELSE  !here the l_ss off-diagonal part starts
@@ -138,13 +135,11 @@ CONTAINS
                enddo
              enddo
              CALL zgemm("N","T",lapw%nv(iintsp),lapw%nv(jintsp),ab_size,chi,ab2_dev,SIZE(ab2_dev,1),&
-                        ab1_dev,SIZE(ab1_dev,1),CMPLX(1.0,0.0),c_dev,SIZE(c_dev,1))
+                        ab1_dev,SIZE(ab1_dev,1),CMPLX(1.0,0.0),hmat%data_c,SIZE(hmat%data_c,1))
           ENDIF
        ENDIF
     END DO
 
-    hmat%data_c = c_dev
-    
     IF (hmat%l_real) THEN
        hmat%data_r=hmat%data_r+REAL(hmat%data_c)
     ENDIF