updating timing printout and OpenMP summary

CB_toy_code/src/cb_cg_gamma_main.f90

@@ -98,6 +98,13 @@ call set_mpi_comm_4_solvers( world_comm, intra_bgrp_comm, inter_bgrp_comm )
    end do
 
    call print_clock('cg')
+   CALL print_clock('rotwfcg')
+   CALL print_clock('rotwfcg:hpsi')
+   CALL print_clock('rotwfcg:hc')
+   CALL print_clock('rotwfcg:diag')
+   CALL print_clock('rotwfcg:evc')
+   call print_clock('rcgdiagg')
+   call print_clock('cg:ortho')
    call print_clock('h_psi')
    call print_clock('s_psi')
    call print_clock('hs_1psi')

CB_toy_code/src/cb_cg_main.f90

@@ -98,6 +98,13 @@ call set_mpi_comm_4_solvers( world_comm, intra_bgrp_comm, inter_bgrp_comm )
    end do
 
    call print_clock('cg')
+   CALL print_clock('rotwfck')
+   CALL print_clock('rotwfck:hpsi')
+   CALL print_clock('rotwfck:hc')
+   CALL print_clock('rotwfck:diag')
+   CALL print_clock('rotwfck:evc')
+   call print_clock('ccgdiagg')
+   call print_clock('cg:ortho')
    call print_clock('h_psi')
    call print_clock('s_psi')
    call print_clock('hs_1psi')

CB_toy_code/src/cb_paro_gamma_main.f90

@@ -19,6 +19,10 @@ PROGRAM cb_paro_gamma_main
   LOGICAL :: overlap = .FALSE. , lrot =.FALSE. , lscf = .TRUE. ! lscf is true for scf calc
   ! additional local variables
   REAL(dp) :: ref=0.d0
+#if defined(_OPENMP)
+  INTEGER :: omp_get_max_threads
+  EXTERNAL :: omp_get_max_threads
+#endif
 #if defined(__MPI)
   ! local paralelization variables
   INTEGER :: ndiag     ! input value of processors in the diagonalization group
@@ -51,6 +55,9 @@ PROGRAM cb_paro_gamma_main
   CALL set_mpi_comm_4_solvers( world_comm, intra_bgrp_comm, inter_bgrp_comm )
   !--------------------------------------------------------------------------------------------------------------!
 #endif
+#if defined(_OPENMP)
+  write (6,*) 'OPENMP is active with max_threads =', omp_get_max_threads()
+#endif
 
   CALL init_clocks(.TRUE.)
   CALL input(gamma_only)
@@ -111,6 +118,12 @@ PROGRAM cb_paro_gamma_main
   CALL print_clock('pcg:hs_1psi')
   CALL print_clock('pcg:ortho')
   CALL print_clock('s_psi')
+! 
+  write (6,*) 
+  write (6,*) ' general FFT  routines'
+  call print_clock('fftw')
+  call print_clock('ffts')
+
 #if defined(__MPI)
   CALL unset_mpi_comm_4_solvers
   CALL mp_global_end( )

CB_toy_code/src/mp_global.f90

@@ -52,7 +52,7 @@ CONTAINS
     ! get input arguments
     !
     CALL get_command_line ( )
-    write (*,*) 'parallel defs : np=',nproc,'nb=', nband_,'  nd=', ndiag_
+    write (6,*) 'parallel MPI defs : np=',nproc,'nb=', nband_,'  nd=', ndiag_
     !
     ! band group inizialization
     !