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#if HAVE_CONFIG_H
# include "config.fh"
#endif
#define USE_SUBGROUPS 1
program grp_sim
#include "common.fh"
c
integer MAXTASKS
parameter (MAXTASKS=2000)
integer i,j,me,icnt,ndim,one
integer heap, stack, group_size, nprocs, ngroups, my_grp
integer max_task, itask, jtask, natom1, natom2
integer group_list(2000), proc_list(2000)
double precision tbeg, wraptime, elapsed
double precision task_time(MAXTASKS),task_beg
double precision proc_time(MD_MAXPROC), delta_t
double precision maxtime, mintime,mingtime,maxgtime
logical status
c
c This is the main calling program for the Molecular Dynamics
c calculation.
c
c
c Initialize message passing
c
#ifdef MSG_COMMS_MPI
integer ierr
call mpi_init(ierr)
#else
call pbeginf
#endif
tbeg = wraptime()
c
call ga_initialize()
c
c Initialize global arrays
c
heap = 2000000
stack = 2000000
c heap = 2000
c stack = 2000
if (.not.ma_init(MT_DBL, stack, heap))
+ call ga_error("ma_init failed",-1)
c
c Create process groups
c
#if USE_SUBGROUPS
group_size = 1
#else
group_size = ga_nnodes()
#endif
max_task = 8
one = 1
nprocs = ga_nnodes()
me = ga_nodeid()
my_grp = (me-mod(me,group_size))/group_size
do i = 1, min(max_task, MAXTASKS)
task_time(i) = 0.0d00
end do
#if USE_SUBGROUPS
c write(6,101) my_grp,me
101 format('My group is ',i2,' on proc ',i3)
ngroups = nprocs/group_size
do i = 1, min(nprocs, MD_MAXPROC)
proc_time(i) = 0.0d00
end do
c write(6,102) ngroups,me
102 format('Ngroups is ',i2,' on proc ',i3)
icnt = 0
do i = 1, ngroups
do j = 1, group_size
proc_list(j) = icnt
icnt = icnt + 1
end do
group_list(i) = ga_pgroup_create(proc_list,group_size)
end do
#endif
c
c Create global array to use for master-worker algorithm
c
g_counter = ga_create_handle()
ndim = 1
call ga_set_data(g_counter,ndim,ndim,MT_INT)
status = ga_allocate(g_counter)
call ga_zero(g_counter)
c write(6,103) me
103 format('Created counter array on ',i3)
#if USE_SUBGROUPS
c write(6,104) me,group_list(my_grp+1)
104 format('Default group on ',i3,' is ',i2)
call ga_pgroup_set_default(group_list(my_grp+1))
c write(6,105) me
105 format('Set default group on ',i3)
#endif
100 if (ga_nodeid().eq.0) then
itask = nga_read_inc(g_counter,one,one)
else
itask = 0
endif
call ga_igop(1,itask,1,'+')
if (itask.lt.max_task) then
c write(6,106) itask,me
106 format('Executing task ',i3,' on proc ',i3)
natom1 = 400
natom1 = 0
jtask = max_task - 1 - itask
natom2 = jtask*5 + 25
natom2 = jtask + 2
task_beg = wraptime()
call cl_sim(natom1,natom2,jtask)
delta_t = wraptime() - task_beg
if (itask.lt.MAXTASKS) task_time(itask+1) = delta_t
#if USE_SUBGROUPS
i = ga_pgroup_nodeid(ga_pgroup_get_world())
i = i/group_size+1
if (i.le.MD_MAXPROC) proc_time(i) = delta_t
#endif
go to 100
endif
#if USE_SUBGROUPS
call ga_pgroup_set_default(ga_pgroup_get_world())
#endif
call ga_dgop(3,task_time,MAXTASKS,'+')
task_time(1) = task_time(1)/dble(group_size)
mintime = task_time(1)
maxtime = task_time(1)
do i = 2, min(max_task, MAXTASKS)
task_time(i) = task_time(i)/dble(group_size)
if (task_time(i).gt.maxtime) maxtime=task_time(i)
if (task_time(i).lt.mintime) mintime=task_time(i)
end do
call ga_dgop(4,proc_time,MD_MAXPROC,'+')
proc_time(1) = proc_time(1)/dble(group_size)
mingtime = proc_time(1)
maxgtime = proc_time(1)
do i = 2, min(ngroups, MD_MAXPROC)
proc_time(i) = proc_time(i)/dble(group_size)
if (proc_time(i).gt.maxgtime) maxgtime=proc_time(i)
if (proc_time(i).lt.mingtime) mingtime=proc_time(i)
end do
elapsed = wraptime()-tbeg
call ga_dgop(2,elapsed,1,'+')
elapsed = elapsed/dble(nprocs)
if (me.eq.0) then
do i = 1, min(max_task, MAXTASKS)
write(6,300) i,task_time(i)
end do
do i = 1, min(ngroups, MD_MAXPROC)
write(6,301) i,proc_time(i)
end do
write(6,201) max_task
write(6,202) group_size
write(6,203) mintime
write(6,204) maxtime
write(6,205) mingtime
write(6,206) maxgtime
write(6,200) elapsed
endif
200 format('Elapsed time for simulation : ',f16.4)
201 format('Number of tasks : ',i12)
202 format('Number of processors in group: ',i12)
203 format('Minimum time for task : ',f16.4)
204 format('Maximum time for task : ',f16.4)
205 format('Minimum time for group : ',f16.4)
206 format('Maximum time for group : ',f16.4)
300 format('Time for task[',i3,'] : ',f16.4)
301 format('Time for group[',i3,'] : ',f16.4)
call ga_terminate()
#ifdef MSG_COMMS_MPI
c write(6,*) 'Calling mpi_finalize'
call mpi_finalize()
#else
call pend
#endif
c write(6,*) 'Called mpi_finalize'
c
c close(6)
stop
end
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