rename

[unres4.git] / source / wham / work_partition.f90

diff --git a/source/wham/work_partition.f90 b/source/wham/work_partition.f90
deleted file mode 100644 (file)
index a50da8e..0000000
--- a/source/wham/work_partition.f90
+++ /dev/null
@@ -1,127 +0,0 @@
-      module work_part
-!------------------------------------------------------------------------------
-      use io_units
-      use MPI_data
-      use wham_data
-      implicit none
-#ifdef MPI
-!------------------------------------------------------------------------------
-!
-!
-!-----------------------------------------------------------------------------
-      contains
-!-----------------------------------------------------------------------------
-#ifdef CLUSTER
-      subroutine work_partition(lprint,ncon_work)
-#else
-      subroutine work_partition(islice,lprint)
-#endif
-! Split the conformations between processors
-!      implicit none
-!      include "DIMENSIONS"
-!      include "DIMENSIONS.ZSCOPT"
-!      include "DIMENSIONS.FREE"
-      include "mpif.h"
-!      include "COMMON.IOUNITS"
-!      include "COMMON.MPI"
-!      include "COMMON.PROT"
-      integer :: islice,ncon_work
-      integer :: n,chunk,i,j,ii,remainder
-!el      integer :: kolor
-      integer :: key,ierror,errcode
-      logical :: lprint
-!
-! Divide conformations between processors; the first and
-! the last conformation to handle by ith processor is stored in 
-! indstart(i) and indend(i), respectively.
-!
-!el MPI_data
-      if (.not. allocated(indstart)) allocate(indstart(0:nprocs))
-      if (.not. allocated(indend)) allocate(indend(0:nprocs))
-      if (.not. allocated(idispl)) allocate(idispl(0:nprocs))
-      if (.not. allocated(scount)) allocate(scount(0:nprocs))
-! First try to assign equal number of conformations to each processor.
-!
-#ifdef CLUSTER
-        n=ncon_work
-        write (iout,*) "n=",n," nprocs=",nprocs
-        nprocs1=nprocs
-#else
-        n=ntot(islice)
-        write (iout,*) "n=",n
-#endif
-        indstart(0)=1
-        chunk = N/nprocs1
-        scount(0) = chunk
-write(iout,*)"chunk",chunk,scount(0)
-flush(iout)
-!        print *,"i",0," indstart",indstart(0)," scount",&
-!          scount(0)
-        do i=1,nprocs1-1
-          indstart(i)=chunk+indstart(i-1) 
-          scount(i)=scount(i-1)
-!          print *,"i",i," indstart",indstart(i)," scount",
-!     &     scount(i)
-        enddo 
-!
-! Determine how many conformations remained yet unassigned.
-!
-        remainder=N-(indstart(nprocs1-1) &
-          +scount(nprocs1-1)-1)
-!        print *,"remainder",remainder
-!
-! Assign the remainder conformations to consecutive processors, starting
-! from the lowest rank; this continues until the list is exhausted.
-!
-        if (remainder .gt. 0) then 
-          do i=1,remainder
-            scount(i-1) = scount(i-1) + 1
-            indstart(i) = indstart(i) + i
-          enddo
-          do i=remainder+1,nprocs1-1
-            indstart(i) = indstart(i) + remainder
-          enddo
-        endif
-
-        indstart(nprocs1)=N+1
-        scount(nprocs1)=0
-
-        do i=0,NProcs1
-          indend(i)=indstart(i)+scount(i)-1
-          idispl(i)=indstart(i)-1
-        enddo
-
-        N=0
-        do i=0,Nprocs1-1
-          N=N+indend(i)-indstart(i)+1
-        enddo
-
-!        print *,"N",n," NTOT",ntot(islice)
-#ifdef CLUSTER
-        if (N.ne.ncon_work) then
-          write (iout,*) "!!! Checksum error on processor",me,&
-            n,ncon_work
-#else
-        if (N.ne.ntot(islice)) then
-          write (iout,*) "!!! Checksum error on processor",me,&
-           " slice",islice
-#endif
-          call flush(iout)
-          call MPI_Abort( MPI_COMM_WORLD, Ierror, Errcode )
-        endif
-
-      if (lprint) then
-        write (iout,*) "Partition of work between processors"
-          do i=0,nprocs1-1
-            write (iout,'(a,i5,a,i7,a,i7,a,i7)') &
-              "Processor",i," indstart",indstart(i),&
-              " indend",indend(i)," count",scount(i)
-          enddo
-      endif
-      return
-      end subroutine work_partition
-#endif
-!----------------------------------------------------------------------------
-      end module work_part
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------