********> bugfix.24
Author:   Tom Cheatham
Date:     6/21/95

Program:  Sander

Problem:  On SP2: won't compile, I/O incomplete, wrong dynamics results.

Fix:      % cp Machine/rs6000/Makefile Machine/spx
          % cp Machine/rs6000/erfcfun.c Machine/spx

          and make the following changes to files:
-------------------------------------------------------------------
*** OLD Machine/mpi/sp1.f
--- NEW sp1.f
***************
*** 51,57
        return
        end
  
!       subroutine MPI_FINALIZE(ierr)
  c************************************************************
  c     MP_STOPALL kills all tasks and stops program.
  c     ierr is supposed to be a returned condition

--- 51,57 -----
        return
        end
  
!       subroutine MPI_ABORT(ierr)
  c************************************************************
  c     MP_STOPALL kills all tasks and stops program.
  c************************************************************
***************
*** 54,59
        subroutine MPI_FINALIZE(ierr)
  c************************************************************
  c     MP_STOPALL kills all tasks and stops program.
  c     ierr is supposed to be a returned condition
  c     but here is used as an input exit code
  c************************************************************

--- 54,68 -----
        subroutine MPI_ABORT(ierr)
  c************************************************************
  c     MP_STOPALL kills all tasks and stops program.
+ c************************************************************
+       integer ierr
+ 
+       call mp_stopall(0)
+       return
+       end
+ 
+       subroutine MPI_FINALIZE(ierr)
+ c************************************************************
  c     ierr is supposed to be a returned condition
  c     but here is used as an input exit code
  c************************************************************
***************
*** 59,65
  c************************************************************
        integer ierr
  
-       call mp_stopall(0)
        return
        end
        

--- 68,73 -----
  c************************************************************
        integer ierr
  
        return
        end
        
-------------------------------------------------------------------
*** OLD sander/parallel.f
--- NEW parallel.f
***************
*** 1,4
  #ifdef MPI
  # ifdef T3D
  #  define MPI_NATIVE
  # endif

--- 1,7 -----
  #ifdef MPI
+ # ifdef POE
+ #  define MPI_NATIVE
+ # endif
  # ifdef T3D
  #  define MPI_NATIVE
  # endif
***************
*** 587,592
        integer ns,nr
        logical sendfirst
  #include "mpif.h"
  #ifdef PARAGON
        integer xlen,ylen
        ierr = 0

--- 590,606 -----
        integer ns,nr
        logical sendfirst
  #include "mpif.h"
+ #ifdef POE
+       common/locpoe/allgrp
+       integer allgrp
+       integer i,size
+       
+       do i = 0, nproc-1
+          call mp_bcast(x(iparpt(i)), 8*(iparpt(i+1)-iparpt(i)),
+      .        i, allgrp)
+       enddo
+       return
+ #endif
  #ifdef PARAGON
        integer xlen,ylen
        ierr = 0
***************
*** 643,648
           bit = ishft(bit,1)
        enddo
        return
  #endif
        end
        subroutine gdsum(node,nproc,x,temp,iparpt,ierr)

--- 657,674 -----
           bit = ishft(bit,1)
        enddo
        return
+ #endif
+ #ifndef POE
+ # ifndef PVM
+ #  ifndef PARAGON
+ #   ifndef CSPP
+ 
+       write(6,'(a)') 'WARNING: DBCAST IS NOT IMPLEMENTED'
+       write(6,'(a)') 'See src/sander/parallel.f'
+ 
+ #   endif
+ #  endif
+ # endif
  #endif
        end
        subroutine gdsum(node,nproc,x,temp,iparpt,ierr)
-------------------------------------------------------------------
*** OLD lib/mexit.f
--- NEW mexit.f
***************
*** 22,27
  C
        subroutine mexit(ifil, i)
  #ifdef MPI
  # ifdef T3D
  #  define MPI_NATIVE
  # endif

--- 22,30 -----
  C
        subroutine mexit(ifil, i)
  #ifdef MPI
+ # ifdef POE
+ #  define MPI_NATIVE
+ # endif
  # ifdef T3D
  #  define MPI_NATIVE
  # endif
-------------------------------------------------------------------
*** OLD Machine.sp2
--- NEW Machine.sp2	
***************
*** 47,53
  
  setenv MACHINE "IBM rs6000"
  setenv MACH rs6000
! setenv MACHINEFLAGS "-DISTAR2  -DREGNML -DNMLEQ -DMPI -DPOE -DMPI_DISTSHAKE -DEWALD -DCLINK_PLAIN "
  
  # SYSDIR is the name of the system-specific source directory for makemake
  setenv SYSDIR Machine/spx

--- 47,53 -----
  
  setenv MACHINE "IBM rs6000"
  setenv MACH rs6000
! setenv MACHINEFLAGS "-DISTAR2  -DREGNML -DNMLEQ -DMPI -DPOE -DEWALD -DCLINK_PLAIN "
  
  # SYSDIR is the name of the system-specific source directory for makemake
  setenv SYSDIR Machine/spx
***************
*** 54,59
  
  # CPP is the cpp for this machine
  setenv CPP /lib/cpp
  
  # COMPILER ALIASES:
  

--- 54,60 -----
  
  # CPP is the cpp for this machine
  setenv CPP /lib/cpp
+ setenv LOCINCLUDE "Machine/mpi"
  
  # COMPILER ALIASES:
  
-------------------------------------------------------------------
*** OLD Machine/spx/sys_proto.f
--- NEW sys_proto.f
***************
*** 54,60
  c
  c
  c     --new for Version 2.3 of XLF; page 222 in the V2.3 Language Reference:
! c      CALL FLUSH_(LUN)
        return
        end
  c-----------------------------------------------------------------------

--- 54,61 -----
  c
  c
  c     --new for Version 2.3 of XLF; page 222 in the V2.3 Language Reference:
! c     FLUSH_ call is needed for SP2
!       CALL FLUSH_(LUN)
        return
        end
  c-----------------------------------------------------------------------

-------------------------------------------------------------------

Temporary workarounds: none