+++ /dev/null
- module MPI_
-!-----------------------------------------------------------------------------
- use io_units
- use MPI_data
- implicit none
-!-----------------------------------------------------------------------------
-!
-!
-!-----------------------------------------------------------------------------
- contains
-!-----------------------------------------------------------------------------
-! MP.F
-!-----------------------------------------------------------------------------
-#ifdef MPI
- subroutine init_task
-
- use control, only: initialize,getenv_loc
- use io_config, only: openunits
- use control_data, only: out1file
- include 'mpif.h'
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
-! include 'COMMON.SETUP'
-! include 'COMMON.CONTROL'
-! include 'COMMON.IOUNITS'
- logical :: lprn=.false.
-! real*8 text1 /'group_i '/,text2/'group_f '/,
-! & text3/'initialb'/,text4/'initiale'/,
-! & text5/'openb'/,text6/'opene'/
- integer,dimension(0:max_cg_procs) :: cgtasks !(0:max_cg_procs)
- character(len=3) :: cfgprocs
- integer :: cg_size,fg_size,fg_size1
-!el local variables
- integer :: i,ierr,key
- real(kind=8) :: world_group,cg_group
-
- allocate(status(MPI_STATUS_SIZE))
-
-! start parallel processing
- print *,'Initializing MPI'
- print *,'MPI_STATUS_SIZE',MPI_STATUS_SIZE
- call mpi_init(ierr)
- write(2, *) "ierr",ierr
- call flush(iout)
- if (ierr.ne.0) then
- print *, ' cannot initialize MPI'
- stop
- endif
-! determine # of nodes and current node
- call MPI_COMM_RANK( MPI_COMM_WORLD, me, ierr )
- if (ierr.ne.0) then
- print *, ' cannot determine rank of all processes'
- call MPI_Finalize( MPI_COMM_WORLD, IERR )
- stop
- endif
- call MPI_Comm_size( MPI_Comm_world, nodes, ierr )
- if (ierr.ne.0) then
- print *, ' cannot determine number of processes'
- stop
- endif
- Nprocs=nodes
- MyRank=me
-! Determine the number of "fine-grain" tasks
- print *,"Before getenv FGPROCS"
- call getenv_loc("FGPROCS",cfgprocs)
- print *,cfgprocs
- read (cfgprocs,'(i3)') nfgtasks
- if (nfgtasks.eq.0) nfgtasks=1
- print *,nfgtasks
- print *,"Before getenv MAXFGPROCS"
- call getenv_loc("MAXGSPROCS",cfgprocs)
- print *,cfgprocs
- read (cfgprocs,'(i3)') max_gs_size
- if (max_gs_size.eq.0) max_gs_size=2
- if (lprn) &
- print *,"Processor",me," nfgtasks",nfgtasks,&
- " max_gs_size",max_gs_size
- if (nfgtasks.eq.1) then
- CG_COMM = MPI_COMM_WORLD
- fg_size=1
- fg_rank=0
- nfgtasks1=1
- fg_rank1=0
- else
- nodes=nprocs/nfgtasks
- if (nfgtasks*nodes.ne.nprocs) then
- write (*,'(a)') 'ERROR: Number of processors assigned',&
- ' to coarse-grained tasks must be divisor',&
- ' of the total number of processors.'
- call MPI_Finalize( MPI_COMM_WORLD, IERR )
- stop
- endif
-! Put the ranks of coarse-grain processes in one table and create
-! the respective communicator. The processes with ranks "in between"
-! the ranks of CG processes will perform fine graining for the CG
-! process with the next lower rank.
-!el allocate(cgtasks(0:nodes))
- do i=0,nprocs-1,nfgtasks
- cgtasks(i/nfgtasks)=i
- enddo
- if (lprn) then
- print*,"Processor",me," cgtasks",(cgtasks(i),i=0,nodes-1)
-! print "(a,i5,a)","Processor",myrank," Before MPI_Comm_group"
- endif
-! call memmon_print_usage()
- call MPI_Comm_group(MPI_COMM_WORLD,world_group,IERR)
- call MPI_Group_incl(world_group,nodes,cgtasks,cg_group,IERR)
- call MPI_Comm_create(MPI_COMM_WORLD,cg_group,CG_COMM,IERR)
- call MPI_Group_rank(cg_group,me,ierr)
- call MPI_Group_free(world_group,ierr)
- call MPI_Group_free(cg_group,ierr)
-! print "(a,i5,a)","Processor",myrank," After MPI_Comm_group"
-! call memmon_print_usage()
- if (me.ne.MPI_UNDEFINED) call MPI_Comm_Rank(CG_COMM,me,ierr)
- if (lprn) print *," Processor",myrank," CG rank",me
-! Create communicators containig processes doing "fine grain" tasks.
-! The processes within each FG_COMM should have fast communication.
- kolor=MyRank/nfgtasks
- key=mod(MyRank,nfgtasks)
- call MPI_Comm_split(MPI_COMM_WORLD,kolor,key,FG_COMM,ierr)
- call MPI_Comm_size(FG_COMM,fg_size,ierr)
- if (fg_size.ne.nfgtasks) then
- write (*,*) "OOOOps... the number of fg tasks is",fg_size,&
- " but",nfgtasks," was requested. MyRank=",MyRank
- endif
- call MPI_Comm_rank(FG_COMM,fg_rank,ierr)
- if (fg_size.gt.max_gs_size) then
- kolor1=fg_rank/max_gs_size
- key1=mod(fg_rank,max_gs_size)
- call MPI_Comm_split(FG_COMM,kolor1,key1,FG_COMM1,ierr)
- call MPI_Comm_size(FG_COMM1,nfgtasks1,ierr)
- call MPI_Comm_rank(FG_COMM1,fg_rank1,ierr)
- else
- FG_COMM1=FG_COMM
- nfgtasks1=nfgtasks
- fg_rank1=fg_rank
- endif
- endif
- if (lprn) then
- if (fg_rank.eq.0) then
- write (*,*) "Processor",MyRank," out of",nprocs,&
- " rank in CG_COMM",me," size of CG_COMM",nodes,&
- " size of FG_COMM",fg_size,&
- " rank in FG_COMM1",fg_rank1," size of FG_COMM1",nfgtasks1
- else
- write (*,*) "Processor",MyRank," out of",nprocs,&
- " rank in FG_COMM",fg_rank," size of FG_COMM",fg_size,&
- " rank in FG_COMM1",fg_rank1," size of FG_COMM1",nfgtasks1
- endif
- endif
-! Initialize other variables.
-! print '(a)','Before initialize'
-! call memmon_print_usage()
- call initialize
-! print '(a,i5,a)','Processor',myrank,' After initialize'
-! call memmon_print_usage()
-! Open task-dependent files.
-! print '(a,i5,a)','Processor',myrank,' Before openunits'
-! call memmon_print_usage()
- call openunits
-! print '(a,i5,a)','Processor',myrank,' After openunits'
-! call memmon_print_usage()
- if (me.eq.king .or. fg_rank.eq.0 .and. .not. out1file) &
- write (iout,'(80(1h*)/a/80(1h*))') &
- 'United-residue force field calculation - parallel job.'
-! print *,"Processor",myrank," exited OPENUNITS"
-!el deallocate(cgtasks)
- return
- end subroutine init_task
-!-----------------------------------------------------------------------------
- subroutine finish_task
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
-! use energy
- use io_base, only:ilen,move_from_tmp
- use MD_data, only: mdpdb,ntwe
- use REMD_data, only: restart1file,traj1file
- use control_data
- include 'mpif.h'
-! use MD
-! include 'COMMON.SETUP'
-! include 'COMMON.CONTROL'
-! include 'COMMON.REMD'
-! include 'COMMON.IOUNITS'
-! include 'COMMON.FFIELD'
-! include 'COMMON.TIME1'
-! include 'COMMON.MD'
-!el integer ilen
-!el external ilen
-!el local variables
- integer :: IERROR,ierr
- real(kind=8) :: time1
-!
- call MPI_Barrier(CG_COMM,ierr)
- if (nfgtasks.gt.1) &
- call MPI_Bcast(-1,1,MPI_INTEGER,king,FG_COMM,IERROR)
- time1=MPI_WTIME()
-! if (me.eq.king .or. .not. out1file) then
- write (iout,'(a,i4,a)') 'CG processor',me,' is finishing work.'
- write (iout,*) 'Total wall clock time',time1-walltime,' sec'
- if (nfgtasks.gt.1) then
- write (iout,'(80(1h=)/a/(80(1h=)))') &
- "Details of FG communication time"
- write (iout,'(7(a40,1pe15.5/),40(1h-)/a40,1pe15.5/80(1h=))') &
- "BROADCAST:",time_bcast,"REDUCE:",time_reduce,&
- "GATHER:",time_gather,&
- "SCATTER:",time_scatter,"SENDRECV:",time_sendrecv,&
- "BARRIER ene",time_barrier_e,&
- "BARRIER grad",time_barrier_g,"TOTAL:",&
- time_bcast+time_reduce+time_gather+time_scatter+time_sendrecv &
- +time_barrier_e+time_barrier_g
- write (*,*) 'Total wall clock time',time1-walltime,' sec'
- write (*,*) "Processor",me," BROADCAST time",time_bcast,&
- " REDUCE time",&
- time_reduce," GATHER time",time_gather," SCATTER time",&
- time_scatter," SENDRECV",time_sendrecv,&
- " BARRIER ene",time_barrier_e," BARRIER grad",time_barrier_g
- endif
-! endif
- write (*,'(a,i4,a)') 'CG processor',me,' is finishing work.'
- if (ilen(tmpdir).gt.0) then
- write (*,*) "Processor",me,&
- ": moving output files to the parent directory..."
- close(inp)
- close(istat,status='keep')
- if (ntwe.gt.0) call move_from_tmp(statname)
- close(irest2,status='keep')
- if (modecalc.eq.12.or. &
- (modecalc.eq.14 .and. .not.restart1file)) then
- call move_from_tmp(rest2name)
- else if (modecalc.eq.14.and. me.eq.king) then
- call move_from_tmp(mremd_rst_name)
- endif
- if (mdpdb) then
- close(ipdb,status='keep')
- call move_from_tmp(pdbname)
- else if (me.eq.king .or. .not.traj1file) then
- close(icart,status='keep')
- call move_from_tmp(cartname)
- endif
- if (me.eq.king .or. .not. out1file) then
- close (iout,status='keep')
- call move_from_tmp(outname)
- endif
- endif
- return
- end subroutine finish_task
-!-----------------------------------------------------------------------------
- subroutine pattern_receive
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- use compare_data, only:nexcl,iexam
- include 'mpif.h'
-! include 'COMMON.SETUP'
-! include 'COMMON.THREAD'
-! include 'COMMON.IOUNITS'
- integer :: tag,status(MPI_STATUS_SIZE)
- integer :: source,ThreadType
- logical :: flag
- integer :: ierr,ireq,iproc
- ThreadType=45
- source=mpi_any_source
- call mpi_iprobe(source,ThreadType,&
- CG_COMM,flag,status,ierr)
- do while (flag)
- write (iout,*) 'Processor ',Me,' is receiving threading',&
- ' pattern from processor',status(mpi_source)
- write (*,*) 'Processor ',Me,' is receiving threading',&
- ' pattern from processor',status(mpi_source)
- nexcl=nexcl+1
- call mpi_irecv(iexam(1,nexcl),2,mpi_integer,status(mpi_source),&
- ThreadType, CG_COMM,ireq,ierr)
- write (iout,*) 'Received pattern:',nexcl,iexam(1,nexcl),&
- iexam(2,nexcl)
- source=mpi_any_source
- call mpi_iprobe(source,ThreadType,&
- CG_COMM,flag,status,ierr)
- enddo
- return
- end subroutine pattern_receive
-!-----------------------------------------------------------------------------
- subroutine pattern_send
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- use compare_data, only:nexcl,iexam
- include 'mpif.h'
-! include 'COMMON.INFO'
-! include 'COMMON.THREAD'
-! include 'COMMON.IOUNITS'
- integer :: source,ThreadType,ireq,iproc,ierr
- ThreadType=45
- do iproc=0,nprocs-1
- if (iproc.ne.me .and. .not.Koniec(iproc) ) then
- call mpi_isend(iexam(1,nexcl),2,mpi_integer,iproc,&
- ThreadType, CG_COMM, ireq, ierr)
- write (iout,*) 'CG processor ',me,' has sent pattern ',&
- 'to processor',iproc
- write (*,*) 'CG processor ',me,' has sent pattern ',&
- 'to processor',iproc
- write (iout,*) 'Pattern:',nexcl,iexam(1,nexcl),iexam(2,nexcl)
- endif
- enddo
- end subroutine pattern_send
-!-----------------------------------------------------------------------------
- subroutine send_stop_sig(Kwita)
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- include 'mpif.h'
-! include 'COMMON.INFO'
-! include 'COMMON.IOUNITS'
- integer :: StopType,StopId,iproc,Kwita,NBytes
- integer :: ierr
- StopType=66
-! Kwita=-1
-! print *,'CG processor',me,' StopType=',StopType
- Koniec(me)=.true.
- if (me.eq.king) then
-! Master sends the STOP signal to everybody.
- write (iout,'(a,a)') &
- 'Master is sending STOP signal to other processors.'
- do iproc=1,nprocs-1
- print *,'Koniec(',iproc,')=',Koniec(iproc)
- if (.not. Koniec(iproc)) then
- call mpi_send(Kwita,1,mpi_integer,iproc,StopType,&
- mpi_comm_world,ierr)
- write (iout,*) 'Iproc=',iproc,' StopID=',StopID
- write (*,*) 'Iproc=',iproc,' StopID=',StopID
- endif
- enddo
- else
-! Else send the STOP signal to Master.
- call mpi_send(Kwita,1,mpi_integer,MasterID,StopType,&
- mpi_comm_world,ierr)
- write (iout,*) 'CG processor=',me,' StopID=',StopID
- write (*,*) 'CG processor=',me,' StopID=',StopID
- endif
- return
- end subroutine send_stop_sig
-!-----------------------------------------------------------------------------
- subroutine recv_stop_sig(Kwita)
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- include 'mpif.h'
-! include 'COMMON.INFO'
-! include 'COMMON.IOUNITS'
- integer :: source,StopType,StopId,iproc,Kwita,ireq,ierr
- logical :: flag
-
- StopType=66
- Kwita=0
- source=mpi_any_source
- allocate(koniec(0:nprocs)) !(0:maxprocs-1)
-
-! print *,'CG processor:',me,' StopType=',StopType
- call mpi_iprobe(source,StopType,&
- mpi_comm_world,flag,status,ierr)
- do while (flag)
- Koniec(status(mpi_source))=.true.
- write (iout,*) 'CG processor ',me,' is receiving STOP signal',&
- ' from processor',status(mpi_source)
- write (*,*) 'CG processor ',me,' is receiving STOP signal',&
- ' from processor',status(mpi_source)
- call mpi_irecv(Kwita,1,mpi_integer,status(mpi_source),StopType,&
- mpi_comm_world,ireq,ierr)
- call mpi_iprobe(source,StopType,&
- mpi_comm_world,flag,status,ierr)
- enddo
- return
- end subroutine recv_stop_sig
-!-----------------------------------------------------------------------------
- subroutine send_MCM_info(ione)
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- include 'mpif.h'
-! include 'COMMON.SETUP'
-! include 'COMMON.MCM'
-! include 'COMMON.IOUNITS'
- integer :: tag,status(MPI_STATUS_SIZE)
- integer :: MCM_info_Type,MCM_info_ID,iproc,one,NBytes
-!el common /aaaa/ isend,irecv
- integer :: nsend,ione,ierr,isend,irecv
- save nsend
- nsend=nsend+1
- MCM_info_Type=77
-!cd write (iout,'(a,i4,a)') 'CG Processor',me,
-!cd & ' is sending MCM info to Master.'
- write (*,'(a,i4,a,i8)') 'CG processor',me,&
- ' is sending MCM info to Master, MCM_info_ID=',MCM_info_ID
- call mpi_isend(ione,1,mpi_integer,MasterID,&
- MCM_info_Type,mpi_comm_world, MCM_info_ID, ierr)
-!cd write (iout,*) 'CG processor',me,' has sent info to the master;',
-!cd & ' MCM_info_ID=',MCM_info_ID
- write (*,*) 'CG processor',me,' has sent info to the master;',&
- ' MCM_info_ID=',MCM_info_ID,' ierr ',ierr
- isend=0
- irecv=0
- return
- end subroutine send_MCM_info
-!-----------------------------------------------------------------------------
- subroutine receive_MCM_info
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- use names
- use MCM_data, only:nacc_tot,nsave_part
- use compare_data, only:nthread,nexcl,ipatt
- include 'mpif.h'
-! include 'COMMON.SETUP'
-! include 'COMMON.MCM'
-! include 'COMMON.IOUNITS'
- integer :: tag,status(MPI_STATUS_SIZE)
- integer :: source,MCM_info_Type,MCM_info_ID,iproc,ione
- logical :: flag
- integer :: itask,ierr
- MCM_info_Type=77
- source=mpi_any_source
-! print *,'source=',source,' dontcare=',dontcare
- call mpi_iprobe(source,MCM_info_Type,&
- mpi_comm_world,flag,status,ierr)
- do while (flag)
- source=status(mpi_source)
- itask=source/fgProcs+1
-!d write (iout,*) 'Master is receiving MCM info from processor ',&
-!d source,' itask',itask
- write (*,*) 'Master is receiving MCM info from processor ',&
- source,' itask',itask
- call mpi_irecv(ione,1,mpi_integer,source,MCM_info_type,&
- mpi_comm_world,MCM_info_ID,ierr)
-!d write (iout,*) 'Received from processor',source,' IONE=',ione
- write (*,*) 'Received from processor',source,' IONE=',ione
- nacc_tot=nacc_tot+1
- if (ione.eq.2) nsave_part(itask)=nsave_part(itask)+1
-!cd print *,'nsave_part(',itask,')=',nsave_part(itask)
-!cd write (iout,*) 'Nacc_tot=',Nacc_tot
-!cd write (*,*) 'Nacc_tot=',Nacc_tot
- source=mpi_any_source
- call mpi_iprobe(source,MCM_info_Type,&
- mpi_comm_world,flag,status,ierr)
- enddo
- return
- end subroutine receive_MCM_info
-!-----------------------------------------------------------------------------
- subroutine send_thread_results
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- use names
- use compare_data
- include 'mpif.h'
-! include 'COMMON.SETUP'
-! include 'COMMON.THREAD'
-! include 'COMMON.IOUNITS'
- integer :: tag,status(MPI_STATUS_SIZE)
- integer :: ibuffer(2*maxthread+2),ThreadType,ThreadID,EnerType,&
- EnerID,msglen,nbytes
- real(kind=8) :: buffer(20*maxthread+2)
- integer :: i,j,ierror
- ThreadType=444
- EnerType=555
- ipatt(1,nthread+1)=nthread
- ipatt(2,nthread+1)=nexcl
- do i=1,nthread
- do j=1,n_ene
- ener(j,i+nthread)=ener0(j,i)
- enddo
- enddo
- ener(1,2*nthread+1)=max_time_for_thread
- ener(2,2*nthread+1)=ave_time_for_thread
-! Send the IPATT array
- write (iout,*) 'CG processor',me,&
- ' is sending IPATT array to master: NTHREAD=',nthread
- write (*,*) 'CG processor',me,&
- ' is sending IPATT array to master: NTHREAD=',nthread
- msglen=2*nthread+2
- call mpi_send(ipatt(1,1),msglen,MPI_INTEGER,MasterID,&
- ThreadType,mpi_comm_world,ierror)
- write (iout,*) 'CG processor',me,&
- ' has sent IPATT array to master MSGLEN',msglen
- write (*,*) 'CG processor',me,&
- ' has sent IPATT array to master MSGLEN',msglen
-! Send the energies.
- msglen=n_ene2*nthread+2
- write (iout,*) 'CG processor',me,' is sending energies to master.'
- write (*,*) 'CG processor',me,' is sending energies to master.'
- call mpi_send(ener(1,1),msglen,MPI_DOUBLE_PRECISION,MasterID,&
- EnerType,mpi_comm_world,ierror)
- write (iout,*) 'CG processor',me,' has sent energies to master.'
- write (*,*) 'CG processor',me,' has sent energies to master.'
- return
- end subroutine send_thread_results
-!-----------------------------------------------------------------------------
- subroutine receive_thread_results(iproc)
-
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
- use names
- use compare_data
- include 'mpif.h'
-! include 'COMMON.INFO'
-! include 'COMMON.THREAD'
-! include 'COMMON.IOUNITS'
- integer :: ibuffer(2*maxthread+2),ThreadType,ThreadID,EnerType,&
- EnerID,ReadyType,ReadyID,Ready,msglen,nbytes,nthread_temp
- real(kind=8) :: buffer(20*maxthread+2),max_time_for_thread_t,&
- ave_time_for_thread_t
- logical :: flag
- integer :: iproc,ierr,ierror,i,j
- real(kind=8) :: nexcl_temp
- ThreadType=444
- EnerType=555
-! Receive the IPATT array
- call mpi_probe(iproc,ThreadType,&
- mpi_comm_world,status,ierr)
- call MPI_GET_COUNT(STATUS, MPI_INTEGER, MSGLEN, IERROR)
- write (iout,*) 'Master is receiving IPATT array from processor:',&
- iproc,' MSGLEN',msglen
- write (*,*) 'Master is receiving IPATT array from processor:',&
- iproc,' MSGLEN',msglen
- call mpi_recv(ipatt(1,nthread+1),msglen,mpi_integer,iproc,&
- ThreadType,&
- mpi_comm_world,status,ierror)
- write (iout,*) 'Master has received IPATT array from processor:',&
- iproc,' MSGLEN=',msglen
- write (*,*) 'Master has received IPATT array from processor:',&
- iproc,' MSGLEN=',msglen
- nthread_temp=ipatt(1,nthread+msglen/2)
- nexcl_temp=ipatt(2,nthread+msglen/2)
-! Receive the energies.
- call mpi_probe(iproc,EnerType,&
- mpi_comm_world,status,ierr)
- call MPI_GET_COUNT(STATUS, MPI_DOUBLE_PRECISION, MSGLEN, IERROR)
- write (iout,*) 'Master is receiving energies from processor:',&
- iproc,' MSGLEN=',MSGLEN
- write (*,*) 'Master is receiving energies from processor:',&
- iproc,' MSGLEN=',MSGLEN
- call mpi_recv(ener(1,nthread+1),msglen,&
- MPI_DOUBLE_PRECISION,iproc,&
- EnerType,MPI_COMM_WORLD,status,ierror)
- write (iout,*) 'Msglen=',Msglen
- write (*,*) 'Msglen=',Msglen
- write (iout,*) 'Master has received energies from processor',iproc
- write (*,*) 'Master has received energies from processor',iproc
- write (iout,*) 'NTHREAD_TEMP=',nthread_temp,' NEXCL=',nexcl_temp
- write (*,*) 'NTHREAD_TEMP=',nthread_temp,' NEXCL=',nexcl_temp
- do i=1,nthread_temp
- do j=1,n_ene
- ener0(j,nthread+i)=ener(j,nthread+nthread_temp+i)
- enddo
- enddo
- max_time_for_thread_t=ener(1,nthread+2*nthread_temp+1)
- ave_time_for_thread_t=ener(2,nthread+2*nthread_temp+1)
- write (iout,*) 'MAX_TIME_FOR_THREAD:',max_time_for_thread_t
- write (iout,*) 'AVE_TIME_FOR_THREAD:',ave_time_for_thread_t
- write (*,*) 'MAX_TIME_FOR_THREAD:',max_time_for_thread_t
- write (*,*) 'AVE_TIME_FOR_THREAD:',ave_time_for_thread_t
- if (max_time_for_thread_t.gt.max_time_for_thread) &
- max_time_for_thread=max_time_for_thread_t
- ave_time_for_thread=(nthread*ave_time_for_thread+ &
- nthread_temp*ave_time_for_thread_t)/(nthread+nthread_temp)
- nthread=nthread+nthread_temp
- return
- end subroutine receive_thread_results
-!-----------------------------------------------------------------------------
-#else
- subroutine init_task
-
- use control, only: initialize,getenv_loc
- use io_config, only: openunits
-! implicit real*8 (a-h,o-z)
-! include 'DIMENSIONS'
-! include 'COMMON.SETUP'
- integer :: fg_size
-
- me=0
- myrank=0
- fg_rank=0
- fg_size=1
- nodes=1
- nprocs=1
- call initialize
- call openunits
- write (iout,'(80(1h*)/a/80(1h*))') &
- 'United-residue force field calculation - serial job.'
- return
- end subroutine init_task
-#endif
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
- end module MPI_
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