Review triggered changes

cp2k · Jun 12, 2024 · 207fbb7 · 207fbb7
1 parent a026445
commit 207fbb7
Showing 1 changed file with 28 additions and 21 deletions.
diff --git a/src/core/dbcsr_config.F b/src/core/dbcsr_config.F
@@ -73,10 +73,20 @@ MODULE dbcsr_config
    LOGICAL, PARAMETER :: has_MPI = .FALSE.
 #endif
 
+   INTEGER, PARAMETER :: mm_stack_default_size_cpu = 1000
+   INTEGER, PARAMETER :: mm_stack_default_size_gpu = 30000
 #if defined(__HAS_smm_vec) || defined (__DBCSR_ACC)
-   INTEGER, PARAMETER :: mm_stack_default_size = 30000
+   INTEGER, PARAMETER :: mm_stack_default_size = mm_stack_default_size_gpu
 #else
-   INTEGER, PARAMETER :: mm_stack_default_size = 1000
+   INTEGER, PARAMETER :: mm_stack_default_size = mm_stack_default_size_cpu
+#endif
+
+   LOGICAL, PARAMETER :: mm_dense_default_cpu =  .TRUE.
+   LOGICAL, PARAMETER :: mm_dense_default_gpu =  .FALSE.
+#if defined (__DBCSR_ACC)
+   LOGICAL, PARAMETER :: mm_dense_default = mm_dense_default_gpu
+#else
+   LOGICAL, PARAMETER :: mm_dense_default = mm_dense_default_cpu
 #endif
 
 #if defined(__LIBXSMM)
@@ -151,9 +161,9 @@ MODULE dbcsr_config
       SET_PARAMETER_DEFAULT(NUM_LAYERS_3D, CONF_PAR_INT, 1)
       SET_PARAMETER_DEFAULT(USE_COMM_THREAD, CONF_PAR_LOGICAL, .TRUE.)
       SET_PARAMETER_DEFAULT(COMM_THREAD_LOAD, CONF_PAR_INT, 100)
-      SET_PARAMETER_DEFAULT(MM_DENSE, CONF_PAR_LOGICAL,.NOT. has_acc)
+      SET_PARAMETER_DEFAULT(MM_DENSE, CONF_PAR_LOGICAL, mm_dense_default)
       SET_PARAMETER_DEFAULT(MULTREC_LIMIT, CONF_PAR_INT, 512)
-      SET_PARAMETER_DEFAULT(TURN_OFF_ACC, CONF_PAR_LOGICAL, .FALSE.)
+      SET_PARAMETER_DEFAULT(RUN_ON_GPU, CONF_PAR_LOGICAL, .TRUE.)
       SET_PARAMETER_DEFAULT(ACCDRV_THREAD_BUFFERS, CONF_PAR_INT, 8)
       TYPE(CONF_PAR_LOGICAL) :: ACCDRV_AVOID_AFTER_BUSY = &
                                 CONF_PAR_LOGICAL(name="ACCDRV_AVOID_AFTER_BUSY", val=.FALSE., defval=.FALSE.)
@@ -342,7 +352,7 @@ SUBROUTINE dbcsr_set_config( &
       comm_thread_load, &
       mm_dense, &
       multrec_limit, &
-      turn_off_acc, &
+      run_on_gpu, &
       accdrv_thread_buffers, &
       accdrv_avoid_after_busy, &
       accdrv_min_flop_process, &
@@ -371,7 +381,7 @@ SUBROUTINE dbcsr_set_config( &
       LOGICAL, INTENT(IN), OPTIONAL                      :: use_comm_thread
       INTEGER, INTENT(IN), OPTIONAL                      :: comm_thread_load
       LOGICAL, INTENT(IN), OPTIONAL                      :: mm_dense
-      LOGICAL, INTENT(IN), OPTIONAL                      :: turn_off_acc
+      LOGICAL, INTENT(IN), OPTIONAL                      :: run_on_gpu
       INTEGER, INTENT(IN), OPTIONAL                      :: multrec_limit, accdrv_thread_buffers
       LOGICAL, INTENT(IN), OPTIONAL                      :: accdrv_avoid_after_busy
       INTEGER, INTENT(IN), OPTIONAL                      :: accdrv_min_flop_process
@@ -393,7 +403,7 @@ SUBROUTINE dbcsr_set_config( &
       CALL dbcsr_cfg%num_layers_3D%set(num_layers_3D)
       CALL dbcsr_cfg%use_comm_thread%set(use_comm_thread)
       CALL dbcsr_cfg%multrec_limit%set(multrec_limit)
-      CALL dbcsr_cfg%turn_off_acc%set(turn_off_acc)
+      CALL dbcsr_cfg%run_on_gpu%set(run_on_gpu)
       CALL dbcsr_cfg%accdrv_thread_buffers%set(accdrv_thread_buffers)
       CALL dbcsr_cfg%accdrv_avoid_after_busy%set(accdrv_avoid_after_busy)
       CALL dbcsr_cfg%accdrv_min_flop_process%set(accdrv_min_flop_process)
@@ -426,14 +436,14 @@ SUBROUTINE dbcsr_set_config( &
       CALL dbcsr_cfg%mm_driver%set(mm_driver)
 
       ! If ACC is turned-off, use the CPU defaults
-      IF (.NOT. PRESENT(mm_stack_size) .AND. dbcsr_cfg%turn_off_acc%val) THEN
-         CALL dbcsr_cfg%mm_stack_size%set(1000)
+      IF (.NOT. PRESENT(mm_stack_size) .AND. .NOT. dbcsr_cfg%run_on_gpu%val) THEN
+         CALL dbcsr_cfg%mm_stack_size%set(mm_stack_default_size_cpu)
       ELSE
          CALL dbcsr_cfg%mm_stack_size%set(mm_stack_size)
       END IF
 
-      IF (.NOT. PRESENT(mm_stack_size) .AND. dbcsr_cfg%turn_off_acc%val) THEN
-         CALL dbcsr_cfg%mm_dense%set(.TRUE.)
+      IF (.NOT. PRESENT(mm_dense) .AND. .NOT. dbcsr_cfg%run_on_gpu%val) THEN
+         CALL dbcsr_cfg%mm_dense%set(mm_dense_default_cpu)
       ELSE
          CALL dbcsr_cfg%mm_dense%set(mm_dense)
       END IF
@@ -452,7 +462,7 @@ SUBROUTINE dbcsr_get_default_config( &
       use_comm_thread, &
       comm_thread_load, &
       mm_dense, &
-      turn_off_acc, &
+      run_on_gpu, &
       multrec_limit, &
       accdrv_thread_buffers, &
       accdrv_avoid_after_busy, &
@@ -473,7 +483,7 @@ SUBROUTINE dbcsr_get_default_config( &
       INTEGER, INTENT(OUT), OPTIONAL                     :: num_layers_3D
       LOGICAL, INTENT(OUT), OPTIONAL                     :: use_comm_thread
       INTEGER, INTENT(OUT), OPTIONAL                     :: comm_thread_load
-      LOGICAL, INTENT(OUT), OPTIONAL                     :: mm_dense, turn_off_acc
+      LOGICAL, INTENT(OUT), OPTIONAL                     :: mm_dense, run_on_gpu
       INTEGER, INTENT(OUT), OPTIONAL                     :: multrec_limit, accdrv_thread_buffers
       LOGICAL, INTENT(OUT), OPTIONAL                     :: accdrv_avoid_after_busy
       INTEGER, INTENT(OUT), OPTIONAL                     :: accdrv_min_flop_process
@@ -496,7 +506,7 @@ SUBROUTINE dbcsr_get_default_config( &
       IF (PRESENT(comm_thread_load)) comm_thread_load = dbcsr_cfg%comm_thread_load%defval
       IF (PRESENT(mm_dense)) mm_dense = dbcsr_cfg%mm_dense%defval
       IF (PRESENT(multrec_limit)) multrec_limit = dbcsr_cfg%multrec_limit%defval
-      IF (PRESENT(turn_off_acc)) turn_off_acc = dbcsr_cfg%turn_off_acc%defval
+      IF (PRESENT(run_on_gpu)) run_on_gpu = dbcsr_cfg%run_on_gpu%defval
       IF (PRESENT(accdrv_thread_buffers)) accdrv_thread_buffers = dbcsr_cfg%accdrv_thread_buffers%defval
       IF (PRESENT(accdrv_avoid_after_busy)) accdrv_avoid_after_busy = dbcsr_cfg%accdrv_avoid_after_busy%defval
       IF (PRESENT(accdrv_min_flop_process)) accdrv_min_flop_process = dbcsr_cfg%accdrv_min_flop_process%defval
@@ -626,12 +636,7 @@ SUBROUTINE dbcsr_print_config(unit_nr)
          END IF
       END BLOCK
 
-      IF (dbcsr_cfg%turn_off_acc%val) THEN
-         WRITE (UNIT=unit_nr, FMT='(1X,A,T81,A4)') &
-            "DBCSR| ACC is turned off: only CPU is used", dbcsr_cfg%turn_off_acc%print_source() 
-      END IF
-
-      IF (use_acc()) THEN
+      IF (has_acc) THEN
          WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') &
             "DBCSR| ACC: Number of devices/node", dbcsr_acc_get_ndevices()
          WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') &
@@ -662,6 +667,8 @@ SUBROUTINE dbcsr_print_config(unit_nr)
                "DBCSR| ACC: Size of binning bins", dbcsr_cfg%accdrv_binning_binsize%val, &
                dbcsr_cfg%accdrv_binning_binsize%print_source()
          END IF
+         WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') &
+            "DBCSR| ACC: GPU backend is enabled", dbcsr_cfg%run_on_gpu%val, dbcsr_cfg%run_on_gpu%print_source()
       END IF
 
       WRITE (UNIT=unit_nr, FMT='(1X,A,T74,ES7.1,A4)') &
@@ -698,7 +705,7 @@ END SUBROUTINE reset_accdrv_active_device_id
    FUNCTION use_acc()
       LOGICAL :: use_acc
 
-      IF (has_acc .AND. .NOT. dbcsr_cfg%turn_off_acc%val) THEN
+      IF (has_acc .AND. dbcsr_cfg%run_on_gpu%val) THEN
          use_acc = .TRUE.
       ELSE
          use_acc = .FALSE.