Merge pull request #54 from jubich/update_mpi_import

Update all module imports
dftbplus · Dec 13, 2023 · 9d3b1de · 9d3b1de
2 parents ab77b43 + 17e157f
commit 9d3b1de
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Showing 22 changed files with 94 additions and 80 deletions.
diff --git a/lib/CMakeLists.txt b/lib/CMakeLists.txt
@@ -7,7 +7,6 @@ set(sources-fpp
   mpifx_barrier.fpp
   mpifx_bcast.fpp
   mpifx_comm.fpp
-  mpifx_common.fpp
   mpifx_constants.fpp
   mpifx_finalize.fpp
   mpifx_gather.fpp

diff --git a/lib/meson.build b/lib/meson.build
@@ -9,7 +9,6 @@ sources_fpp = files(
   'mpifx_barrier.fpp',
   'mpifx_bcast.fpp',
   'mpifx_comm.fpp',
-  'mpifx_common.fpp',
   'mpifx_constants.fpp',
   'mpifx_finalize.fpp',
   'mpifx_gather.fpp',

diff --git a/lib/mpifx_abort.fpp b/lib/mpifx_abort.fpp
@@ -1,6 +1,8 @@
 !> Contains wrapper for \c MPI_ABORT.
 module mpifx_abort_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : handle_errorflag
   implicit none
   private
 

diff --git a/lib/mpifx_allgather.fpp b/lib/mpifx_allgather.fpp
@@ -4,7 +4,9 @@
 
 !> Contains wrapper for \c MPI_ALLGATHER
 module mpifx_allgather_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, handle_errorflag, sp
   implicit none
   private
 

diff --git a/lib/mpifx_allgatherv.fpp b/lib/mpifx_allgatherv.fpp
@@ -106,7 +106,9 @@
 
 !> Contains wrapper for \c MPI_allgatherv
 module mpifx_allgatherv_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, handle_errorflag, sp
   implicit none
   private
 

diff --git a/lib/mpifx_allreduce.fpp b/lib/mpifx_allreduce.fpp
@@ -4,7 +4,9 @@
 
 !> Contains wrapper for \c MPI_ALLREDUCE.
 module mpifx_allreduce_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, handle_errorflag, sp
   implicit none
   private
 
@@ -86,7 +88,7 @@ module mpifx_allreduce_module
   !!       write(*, "(I2.2,'-',I3.3,'|',1X,A,3F8.2)") 4, mycomm%rank, &
   !!           & "Obtained result (prod):", resvalr(:)
   !!       call mpifx_finalize()
-  !!       
+  !!
   !!     end program test_allreduceip
   !!
   interface mpifx_allreduceip

diff --git a/lib/mpifx_barrier.fpp b/lib/mpifx_barrier.fpp
@@ -1,8 +1,10 @@
 #:include 'mpifx.fypp'
 
-!> Contains wrapper for \c MPI_BARRIER.  
+!> Contains wrapper for \c MPI_BARRIER.
 module mpifx_barrier_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : handle_errorflag
   implicit none
   private
 
@@ -35,12 +37,12 @@ contains
   subroutine mpifx_barrier(mycomm, error)
     type(mpifx_comm), intent(in) :: mycomm
     integer, intent(out), optional :: error
-    
+
     integer :: error0
-    
+
     call mpi_barrier(mycomm%id, error0)
     call handle_errorflag(error0, "MPI_BARRIER in mpifx_barrier", error)
-    
+
   end subroutine mpifx_barrier
 
 

diff --git a/lib/mpifx_bcast.fpp b/lib/mpifx_bcast.fpp
@@ -4,7 +4,9 @@
 
 !> Contains wrapper for \c MPI_BCAST.
 module mpifx_bcast_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, getoptarg, handle_errorflag, sp
   implicit none
   private
 
@@ -80,7 +82,7 @@ contains
 
 #:enddef mpifx_bcast_template
 
-  
+
 #:for TYPE in TYPES
   #:for RANK in RANKS
 

diff --git a/lib/mpifx_comm.fpp b/lib/mpifx_comm.fpp
@@ -1,7 +1,7 @@
 !> Contains the extended MPI communicator.
 module mpifx_comm_module
   use mpi
-  use mpifx_helper_module
+  use mpifx_helper_module, only : getoptarg, handle_errorflag
   implicit none
   private
 

diff --git a/lib/mpifx_common.fpp b/lib/mpifx_common.fpp
diff --git a/lib/mpifx_finalize.fpp b/lib/mpifx_finalize.fpp
@@ -1,6 +1,8 @@
-!> Contains wrapper for \c MPI_FINALIZE.  
+!> Contains wrapper for \c MPI_FINALIZE.
 module mpifx_finalize_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : handle_errorflag
   implicit none
   private
 
@@ -39,5 +41,5 @@ contains
     call handle_errorflag(error0, "Error: mpi_finalize() in mpifx_finalize()", error)
 
   end subroutine mpifx_finalize
-      
+
 end module mpifx_finalize_module
diff --git a/lib/mpifx_gather.fpp b/lib/mpifx_gather.fpp
@@ -4,7 +4,9 @@
 
 !> Contains wrapper for \c MPI_GATHER
 module mpifx_gather_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, getoptarg, handle_errorflag, sp
   implicit none
   private
 
@@ -30,17 +32,17 @@ module mpifx_gather_module
   !!     program test_gather
   !!       use libmpifx_module
   !!       implicit none
-  !!     
+  !!
   !!       type(mpifx_comm) :: mycomm
   !!       integer :: send0
   !!       integer, allocatable :: send1(:)
   !!       integer, allocatable :: recv1(:), recv2(:,:)
   !!       character(100) :: formstr
   !!       character(*), parameter :: label = "(I2.2,'-',I3.3,'|',1X"
-  !!     
+  !!
   !!       call mpifx_init()
   !!       call mycomm%init()
-  !!     
+  !!
   !!       ! I0 -> I1
   !!       send0 = mycomm%rank * 2    ! Arbitrary number to send
   !!       if (mycomm%lead) then
@@ -55,7 +57,7 @@ module mpifx_gather_module
   !!         write(*, *) mycomm%rank, "Recv1 buffer:", recv1(:)
   !!       end if
   !!       deallocate(recv1)
-  !!     
+  !!
   !!       ! I1 -> I1
   !!       allocate(send1(2))
   !!       send1(:) = [ mycomm%rank, mycomm%rank + 1 ]  ! Arbitrary numbers
@@ -70,7 +72,7 @@ module mpifx_gather_module
   !!       if (mycomm%lead) then
   !!         write(*, *) mycomm%rank, "Recv1 buffer:", recv1
   !!       end if
-  !!     
+  !!
   !!       ! I1 -> I2
   !!       send1(:) = [ mycomm%rank, mycomm%rank + 1 ]
   !!       if (mycomm%lead) then
@@ -82,9 +84,9 @@ module mpifx_gather_module
   !!       if (mycomm%lead) then
   !!         write(*, *) mycomm%rank, "Recv2 buffer:", recv2
   !!       end if
-  !!       
+  !!
   !!       call mpifx_finalize()
-  !!       
+  !!
   !!     end program test_gather
   !!
   interface mpifx_gather
@@ -100,7 +102,7 @@ module mpifx_gather_module
   #:endfor
 #:endfor
   end interface mpifx_gather
-  
+
 contains
 
 #:def mpifx_gather_dr0_template(SUFFIX, TYPE, MPITYPE, RANK, HASLENGTH)
@@ -135,7 +137,7 @@ contains
     call mpi_gather(send, ${COUNT}$, ${MPITYPE}$, recv, ${COUNT}$, ${MPITYPE}$, root0,&
         & mycomm%id, error0)
     call handle_errorflag(error0, "MPI_GATHER in mpifx_gather_${SUFFIX}$", error)
-    
+
   end subroutine mpifx_gather_${SUFFIX}$
 
 #:enddef mpifx_gather_dr0_template

diff --git a/lib/mpifx_gatherv.fpp b/lib/mpifx_gatherv.fpp
@@ -131,7 +131,9 @@
 
 !> Contains wrapper for \c MPI_gatherv
 module mpifx_gatherv_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, handle_errorflag, sp
   implicit none
   private
 

diff --git a/lib/mpifx_get_processor_name.fpp b/lib/mpifx_get_processor_name.fpp
@@ -1,6 +1,5 @@
 !> Contains the extended MPI communicator.
 module mpifx_get_processor_name_module
-  use mpifx_helper_module
   use mpi
   implicit none
   private

diff --git a/lib/mpifx_helper.fpp b/lib/mpifx_helper.fpp
@@ -6,7 +6,7 @@
 module mpifx_helper_module
   use mpi
   use, intrinsic :: iso_fortran_env, only : stderr => error_unit
-  use mpifx_constants_module
+  use mpifx_constants_module, only : MPIFX_ASSERT_FAILED, MPIFX_UNHANDLED_ERROR
   implicit none
   private
 

diff --git a/lib/mpifx_init.fpp b/lib/mpifx_init.fpp
@@ -1,7 +1,9 @@
 !> Contains wrapper for \c MPI_INIT.
 module mpifx_init_module
-  use mpifx_common_module
-  use mpifx_constants_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_constants_module, only : MPIFX_UNHANDLED_ERROR
+  use mpifx_helper_module, only : handle_errorflag
   implicit none
   private
 

diff --git a/lib/mpifx_recv.fpp b/lib/mpifx_recv.fpp
@@ -4,7 +4,9 @@
 
 !> Contains wrapper for \c MPI_RECV
 module mpifx_recv_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, sp
   implicit none
   private
 
@@ -15,7 +17,7 @@ module mpifx_recv_module
   !!
   !! \details All functions have the same argument list only differing in the
   !! type and rank of the second argument. The second argument can be of
-  !! type integer (i), real (s), double precision (d), complex (c), 
+  !! type integer (i), real (s), double precision (d), complex (c),
   !! double complex (z), logical (b) and character (h). Its rank can vary from
   !! zero (scalar) up to the maximum rank.
   !!
@@ -60,7 +62,7 @@ contains
 #:def mpifx_recv_template(SUFFIX, TYPE, MPITYPE, RANK, HASLENGTH)
 
   #:assert RANK >= 0
-  
+
   !> Receives a message from a given process.
   !! \param mycomm  MPI descriptor.
   !! \param msg  Msg to be received.
@@ -105,6 +107,6 @@ contains
     $:mpifx_recv_template(SUFFIX, FTYPE, MPITYPE, RANK, HASLENGTH)
 
   #:endfor
-#:endfor  
-  
+#:endfor
+
 end module mpifx_recv_module
diff --git a/lib/mpifx_reduce.fpp b/lib/mpifx_reduce.fpp
@@ -4,7 +4,9 @@
 
 !> Contains wrapper for \c MPI_REDUCE.
 module mpifx_reduce_module
-  use mpifx_common_module
+  use mpi
+  use mpifx_comm_module, only : mpifx_comm
+  use mpifx_helper_module, only : dp, getoptarg, handle_errorflag, sp
   implicit none
   private
 
@@ -13,8 +15,8 @@ module mpifx_reduce_module
   !> Reduces a scalar/array on a given node.
   !!
   !! \details All functions have the same argument list only differing in the
-  !! type and rank of the second and third arguments. The second and third 
-  !! arguments can be of type integer (i), real (s), double precision (d), 
+  !! type and rank of the second and third arguments. The second and third
+  !! arguments can be of type integer (i), real (s), double precision (d),
   !! complex (c), double complex (z) or logical (l). Their rank can vary from
   !! zero (scalars) up to the maximum rank. Both arguments must be of same
   !! type and rank.
@@ -42,7 +44,7 @@ module mpifx_reduce_module
   !!       write(*, "(I2.2,'-',I3.3,'|',1X,A,3F8.2)") 4, mycomm%rank, &
   !!           & "Obtained result (prod):", resvalr(:)
   !!       call mpifx_finalize()
-  !!       
+  !!
   !!     end program test_reduce
   !!
   interface mpifx_reduce
@@ -86,9 +88,9 @@ module mpifx_reduce_module
   !!       write(*, "(I2.2,'-',I3.3,'|',1X,A,3F8.2)") 4, mycomm%rank, &
   !!           & "Obtained result (prod):", resvalr(:)
   !!       call mpifx_finalize()
-  !!       
+  !!
   !!     end program test_reduceip
-  !!  
+  !!
   interface mpifx_reduceip
 #:for TYPE in TYPES
   #:for RANK in RANKS
@@ -129,16 +131,16 @@ contains
 
     call mpi_reduce(orig, reduced, ${COUNT}$, ${MPITYPE}$, reduceop, root0, mycomm%id, error0)
     call handle_errorflag(error0, "MPI_REDUCE in mpifx_reduce_${SUFFIX}$", error)
-      
+
   end subroutine mpifx_reduce_${SUFFIX}$
 
 #:enddef mpifx_reduce_template
 
-  
+
 #:def mpifx_reduceip_template(SUFFIX, TYPE, MPITYPE, RANK)
 
   #:assert RANK >= 0
-  
+
   !> Reduces results on one process (type ${SUFFIX}$).
   !!
   !! \param mycomm  MPI communicator.
@@ -170,12 +172,12 @@ contains
           & error0)
     end if
     call handle_errorflag(error0, "MPI_REDUCE in mpifx_reduce_${SUFFIX}$", error)
-      
+
   end subroutine mpifx_reduceip_${SUFFIX}$
 
 #:enddef mpifx_reduceip_template
 
-  
+
 #:for TYPE in TYPES
   #:for RANK in RANKS