Conditionally rely on PARALLEL WORKSHARE (cp2k#857).

hfp · Oct 16, 2024 · a2e4aaf · a2e4aaf
1 parent b44599d
commit a2e4aaf
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Showing 3 changed files with 16 additions and 27 deletions.
diff --git a/src/data/dbcsr_ptr_util.F b/src/data/dbcsr_ptr_util.F
@@ -28,7 +28,7 @@ MODULE dbcsr_ptr_util
                             mp_deallocate
 #include "base/dbcsr_base_uses.f90"
 
-!$ USE OMP_LIB, ONLY: omp_get_max_threads, omp_get_thread_num, omp_get_num_threads
+!$ USE OMP_LIB, ONLY: omp_in_parallel
 
    IMPLICIT NONE
 
@@ -297,11 +297,11 @@ SUBROUTINE mem_copy_${nametype1}$ (dst, src, n)
          ${type1}$, DIMENSION(1:n), INTENT(IN) :: src
         !! source memory
 #if !defined(__DBCSR_DISABLE_WORKSHARE)
-!$OMP     PARALLEL WORKSHARE DEFAULT(none) SHARED(dst,src)
+!$OMP    PARALLEL WORKSHARE IF(.NOT. omp_in_parallel()) DEFAULT(none) SHARED(dst,src)
 #endif
          dst(:) = src(:)
 #if !defined(__DBCSR_DISABLE_WORKSHARE)
-!$OMP     END PARALLEL WORKSHARE
+!$OMP    END PARALLEL WORKSHARE
 #endif
       END SUBROUTINE mem_copy_${nametype1}$
 
@@ -313,11 +313,11 @@ SUBROUTINE mem_zero_${nametype1}$ (dst, n)
          ${type1}$, DIMENSION(1:n), INTENT(OUT) :: dst
         !! destination memory
 #if !defined(__DBCSR_DISABLE_WORKSHARE)
-!$OMP     PARALLEL WORKSHARE DEFAULT(none) SHARED(dst)
+!$OMP    PARALLEL IF(.NOT. omp_in_parallel()) WORKSHARE DEFAULT(none) SHARED(dst)
 #endif
          dst(:) = ${zero1}$
 #if !defined(__DBCSR_DISABLE_WORKSHARE)
-!$OMP     END PARALLEL WORKSHARE
+!$OMP    END PARALLEL WORKSHARE
 #endif
       END SUBROUTINE mem_zero_${nametype1}$
 

diff --git a/src/mpi/dbcsr_mpiwrap.F b/src/mpi/dbcsr_mpiwrap.F
@@ -95,6 +95,8 @@ MODULE dbcsr_mpiwrap
 #define MPI_STATUS_EXTRACT(X) (X)
 #endif
 
+!$ USE OMP_LIB, ONLY: omp_in_parallel
+
    IMPLICIT NONE
    PRIVATE
 
@@ -5183,11 +5185,11 @@ SUBROUTINE mp_rget_${nametype1}$v(base, source, win, win_data, myproc, disp, req
 #endif
             IF (do_local_copy) THEN
 #if !defined(__DBCSR_DISABLE_WORKSHARE)
-!$OMP           PARALLEL WORKSHARE DEFAULT(none) SHARED(base,win_data,disp_aint,len)
+!$OMP          PARALLEL IF(.NOT. omp_in_parallel()) WORKSHARE DEFAULT(none) SHARED(base,win_data,disp_aint,len)
 #endif
                base(:) = win_data(disp_aint + 1:disp_aint + len)
 #if !defined(__DBCSR_DISABLE_WORKSHARE)
-!$OMP           END PARALLEL WORKSHARE
+!$OMP          END PARALLEL WORKSHARE
 #endif
                request = mp_request_null
                ierr = 0

diff --git a/src/ops/dbcsr_operations.F b/src/ops/dbcsr_operations.F
@@ -94,7 +94,7 @@ MODULE dbcsr_operations
                             mp_sum
 #include "base/dbcsr_base_uses.f90"
 
-!$ USE OMP_LIB, ONLY: omp_get_max_threads, omp_get_thread_num, omp_get_num_threads
+!$ USE OMP_LIB, ONLY: omp_get_thread_num, omp_get_num_threads, omp_in_parallel
 
    IMPLICIT NONE
 
@@ -315,35 +315,22 @@ SUBROUTINE dbcsr_zero(matrix_a)
       INTEGER                                            :: handle
 
       CALL timeset(routineN, handle)
+#if !defined(__DBCSR_DISABLE_WORKSHARE)
+!$OMP PARALLEL IF(.NOT. omp_in_parallel()) WORKSHARE DEFAULT(NONE) SHARED(matrix_a)
+#endif
       SELECT CASE (dbcsr_get_data_type(matrix_a))
-#if defined(__DBCSR_DISABLE_WORKSHARE)
-      CASE (dbcsr_type_complex_4)
-         matrix_a%data_area%d%c_sp = (0.0, 0.0)
-      CASE (dbcsr_type_complex_8)
-         matrix_a%data_area%d%c_dp = (0.0_dp, 0.0_dp)
-      CASE (dbcsr_type_real_4)
-         matrix_a%data_area%d%r_sp = 0.0
-      CASE (dbcsr_type_real_8)
-         matrix_a%data_area%d%r_dp = 0.0_dp
-#else
       CASE (dbcsr_type_complex_4)
-!$OMP       PARALLEL WORKSHARE DEFAULT(NONE), SHARED(matrix_a)
          matrix_a%data_area%d%c_sp = (0.0, 0.0)
-!$OMP       END PARALLEL WORKSHARE
       CASE (dbcsr_type_complex_8)
-!$OMP       PARALLEL WORKSHARE DEFAULT(NONE), SHARED(matrix_a)
          matrix_a%data_area%d%c_dp = (0.0_dp, 0.0_dp)
-!$OMP       END PARALLEL WORKSHARE
       CASE (dbcsr_type_real_4)
-!$OMP       PARALLEL WORKSHARE DEFAULT(NONE), SHARED(matrix_a)
          matrix_a%data_area%d%r_sp = 0.0
-!$OMP       END PARALLEL WORKSHARE
       CASE (dbcsr_type_real_8)
-!$OMP       PARALLEL WORKSHARE DEFAULT(NONE), SHARED(matrix_a)
          matrix_a%data_area%d%r_dp = 0.0_dp
-!$OMP       END PARALLEL WORKSHARE
-#endif
       END SELECT
+#if !defined(__DBCSR_DISABLE_WORKSHARE)
+!$OMP END PARALLEL WORKSHARE
+#endif
       CALL timestop(handle)
    END SUBROUTINE dbcsr_zero