add more information to parallel check

juDFT/check_para.f90

@@ -6,6 +6,39 @@ CONTAINS
       call check_omp_para()
    end subroutine juDFT_check_para
 
+   !subroutine check_mpi_para(mpi)
+      !use m_judft_string
+      !use m_judft_stop
+      !implicit none
+      !TYPE(t_mpi)    ,INTENT(IN) :: mpi
+      !real(8)                    :: summe, summe_seq, t_mpi, t_seq
+      !integer(4)                 :: rank, size, ierr
+      !integer                    :: i, omp_threads
+      !integer, parameter          :: loop_end = 300000000
+
+      !t_mpi = MPI_Wtime()
+      !summe = 0.0
+      !do i = 1, loop_end*omp_threads
+         !summe = summe + 1.0
+      !enddo
+      !t_mpi = MPI_Wtime() - t_mpi
+
+      !call MPI_Reduce(summe, summe_seq, 1, MPI_REAL8, MPI_SUM, 0, mpi%mpi_comm)
+
+      !if(mpi%irank == 0) then
+         !summe = summe / mpi%isize
+
+         !t_seq = MPI_Wtime()
+         !summe = 0.0
+         !do i = 1, loop_end*omp_threads
+            !summe = summe + 1.0
+         !enddo
+         !t_seq = MPI_Wtime() - t_seq
+      !endif
+
+   !end subroutine check_mpi_para
+
+
    subroutine check_omp_para()
       use omp_lib
       use m_judft_string
@@ -18,14 +51,14 @@ CONTAINS
 
       summe = 0.0
       !$omp parallel reduction(+: t_omp)
-         omp_threads = OMP_GET_NUM_THREADS()
-         t_omp = OMP_GET_WTIME()
-         !$omp do reduction(+:summe)
-            do i = 1, loop_end*omp_threads
-               summe = summe + 1.0
-            enddo
-         !$omp end do
-         t_omp = OMP_GET_WTIME() - t_omp
+      omp_threads = OMP_GET_NUM_THREADS()
+      t_omp = OMP_GET_WTIME()
+      !$omp do reduction(+:summe)
+      do i = 1, loop_end*omp_threads
+         summe = summe + 1.0
+      enddo
+      !$omp end do
+      t_omp = OMP_GET_WTIME() - t_omp
       !$omp end parallel
 
       t_omp = t_omp / omp_threads
@@ -41,12 +74,13 @@ CONTAINS
       if( abs(t_seq/t_omp -1.0) < 0.1)then
          write (*,*) "Parallelization OK"
       else
+         write (*,*) "number of OMPs = ", omp_threads
          write (*,*) "t_omp = ", t_omp
          write (*,*) "t_seq = ", t_seq
          write (*,*) "Summe = ", summe
 
          call juDFT_warn("OMP parallelization underperform with a parallel efficiency of " // &
-                         float2str(t_seq/t_omp), hint="check if your slurm files is set properly")
+            float2str(t_seq/t_omp), hint="check if your slurm files is set properly")
       endif
    end subroutine check_omp_para