Revert "Rollback to DBCSR 2.0.1"

This reverts commit c88089a.
cp2k · Feb 10, 2020 · 08fb5cc · 08fb5cc
1 parent c772d90
commit 08fb5cc
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Showing 2 changed files with 7 additions and 4 deletions.
diff --git a/exts/dbcsr b/exts/dbcsr
diff --git a/src/rpa_gw_im_time_util.F b/src/rpa_gw_im_time_util.F
@@ -172,10 +172,12 @@ SUBROUTINE get_tensor_3c_overl_int_gw(t_3c_overl_int, &
       ALLOCATE (sizes_MO(nmo))
       sizes_MO = 1
 
-      CALL dbcsr_t_pgrid_create(para_env%group, pdims, pgrid)
+      CALL dbcsr_t_pgrid_create(para_env%group, pdims, pgrid, &
+                                tensor_dims=[SIZE(sizes_RI_split), SIZE(sizes_AO_split), SIZE(sizes_MO)])
 
       pdims_2d = 0
-      CALL dbcsr_t_pgrid_create(para_env%group, pdims_2d, pgrid_2d)
+      CALL dbcsr_t_pgrid_create(para_env%group, pdims_2d, pgrid_2d, &
+                                tensor_dims=[SIZE(sizes_AO), SIZE(sizes_MO)])
 
       CALL create_3c_tensor(t_3c_overl_int_ao_ao, dist1, dist2, dist3, pgrid, &
                             sizes_RI_split, sizes_AO_split, sizes_AO, [1, 2], [3], "(RI AO | AO)")
@@ -219,7 +221,8 @@ SUBROUTINE get_tensor_3c_overl_int_gw(t_3c_overl_int, &
 
       IF (do_ic_model) THEN
          pdims = 0
-         CALL dbcsr_t_pgrid_create(para_env%group, pdims, pgrid_ic)
+         CALL dbcsr_t_pgrid_create(para_env%group, pdims, pgrid_ic, &
+                                   tensor_dims=[SIZE(sizes_RI_split), SIZE(sizes_MO), SIZE(sizes_MO)])
 
          CALL create_3c_tensor(t_3c_overl_int_mo_ao, dist1, dist2, dist3, pgrid_ic, &
                                sizes_RI_split, sizes_MO, sizes_AO, [1, 2], [3], "(RI MO | AO)")