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#if HAVE_CONFIG_H
# include "config.fh"
#endif
subroutine update
#include "common.fh"
c
double precision xmax,ymax,zmax,xmin,ymin,zmin
double precision xcell,ycell,zcell
double precision tbeg,wraptime
integer snode,rnode,pnum,inode,idx,idy,idz,ipx,ipy,ipz
integer icnt,i,j,k,inx,iny,inz
c
c This subroutine gathers coordinates of particles that have moved off
c the processor and sends then to neighboring processors. It also recieves
c the coordinates of particles that have moved onto the processor.
c
tbeg = wraptime()
call clear_hash
pnum = ga_nnodes()
call factor(pnum,idx,idy,idz)
inode = ga_nodeid()
call i_proc_to_xyz(inode,ipx,ipy,ipz,idx,idy,idz)
c
c determine local boundaries
c
xmax = xbox*dble(ipx+1)/dble(idx)
ymax = ybox*dble(ipy+1)/dble(idy)
zmax = zbox*dble(ipz+1)/dble(idz)
xmin = xbox*dble(ipx)/dble(idx)
ymin = ybox*dble(ipy)/dble(idy)
zmin = zbox*dble(ipz)/dble(idz)
xmax = xmax - xbox2
ymax = ymax - ybox2
zmax = zmax - zbox2
xmin = xmin - xbox2
ymin = ymin - ybox2
zmin = zmin - zbox2
xcell = xbox/dble(idx)
ycell = ybox/dble(idy)
zcell = zbox/dble(idz)
c
btot = 0
c
c Send particles along x-axis. Gather all particles that lie within
c processor domain
c
if (idx.ge.2) then
c
c collect all particles that have moved off of processor
c
if (idx.eq.2) then
c
c both boundaries are adjacent to boundaries on next processor
c
icnt = 0
do i = 1, antot
if (ra(i,1,1).ge.xmax.or.ra(i,1,1).lt.xmin) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
else
c
c processor bounded by two separate processors
c
icnt = 0
do i = 1, antot
if ((ra(i,1,1).ge.xmax.and.ra(i,1,1)-xmax.lt.xcell).or.
+ (ra(i,1,1).lt.xmin.and.xmin-ra(i,1,1).gt.xcell)) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
endif
c
c send particles in positive x direction
c
inx = ipx - 1
if (inx.eq.-1) inx = idx - 1
call i_xyz_to_proc(rnode,inx,ipy,ipz,idx,idy,idz)
call update_buf(rnode)
call ucull
endif
c
if (idx.gt.2) then
c
c each boundary is adjacent to a different processor
c
icnt = 0
do i = 1, antot
if ((ra(i,1,1).lt.xmin.and.xmin-ra(i,1,1).lt.xcell).or.
+ (ra(i,1,1).gt.xmax.and.ra(i,1,1)-xmax.gt.xcell)) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
c
c send particles in negative x direction
c
inx = ipx + 1
if (inx.eq.idx) inx = 0
call i_xyz_to_proc(rnode,inx,ipy,ipz,idx,idy,idz)
call update_buf(rnode)
call ucull
endif
c
c repeat for y axis
c
if (idy.ge.2) then
c
c both boundaries are adjacent to boundaries on next processor
c
if (idy.eq.2) then
icnt = 0
do i = 1, antot
if (ra(i,2,1).ge.ymax.or.ra(i,2,1).lt.ymin) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
else
c
c processor bounded by two separate processors
c
icnt = 0
do i = 1, antot
if ((ra(i,2,1).ge.ymax.and.ra(i,2,1)-ymax.lt.ycell).or.
+ (ra(i,2,1).lt.ymin.and.ymin-ra(i,2,1).gt.ycell)) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
endif
c
c send particles in positive y direction
c
iny = ipy - 1
if (iny.eq.-1) iny = idy - 1
call i_xyz_to_proc(rnode,ipx,iny,ipz,idx,idy,idz)
call update_buf(rnode)
call ucull
endif
icnt = 0
if (idy.gt.2) then
c
c each boundary is adjacent to a different processor
c
icnt = 0
do i = 1, antot
if ((ra(i,2,1).lt.ymin.and.ymin-ra(i,2,1).lt.ycell).or.
+ (ra(i,2,1).gt.ymax.and.ra(i,2,1)-ymax.gt.ycell)) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
c
c send particles in negative y direction
c
iny = ipy + 1
if (iny.eq.idy) iny = 0
call i_xyz_to_proc(rnode,ipx,iny,ipz,idx,idy,idz)
call update_buf(rnode)
call ucull
endif
c
c repeat for z axis
c
if (idz.ge.2) then
c
c both boundaries are adjacent to boundaries on next processor
c
if (idz.eq.2) then
icnt = 0
do i = 1, antot
if (ra(i,3,1).ge.zmax.or.ra(i,3,1).lt.zmin) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
else
c
c processor bounded by two separate processors
c
icnt = 0
do i = 1, antot
if ((ra(i,3,1).ge.zmax.and.ra(i,3,1)-zmax.lt.zcell).or.
+ (ra(i,3,1).lt.zmin.and.zmin-ra(i,3,1).gt.zcell)) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
endif
c
c send particles in positive z direction
c
inz = ipz - 1
if (inz.eq.-1) inz = idz - 1
call i_xyz_to_proc(rnode,ipx,ipy,inz,idx,idy,idz)
call update_buf(rnode)
call ucull
endif
if (idz.gt.2) then
c
c each boundary is adjacent to a different processor
c
icnt = 0
do i = 1, antot
if ((ra(i,3,1).lt.zmin.and.zmin-ra(i,3,1).lt.zcell).or.
+ (ra(i,3,1).gt.zmax.and.ra(i,3,1)-zmax.gt.zcell)) then
btot = btot + 1
xcrd(btot) = ra(i,1,6)
ycrd(btot) = ra(i,2,6)
zcrd(btot) = ra(i,3,6)
xfrc(btot) = ra(i,1,2)
yfrc(btot) = ra(i,2,2)
zfrc(btot) = ra(i,3,2)
xacc(btot) = ra(i,1,3)
yacc(btot) = ra(i,2,3)
zacc(btot) = ra(i,3,3)
bat(btot) = at(i)
mbuf(btot) = mass(i)
bidx(btot) = aidx(i)
else
icnt = icnt + 1
do j = 1, 3
do k = 1, 6
ra(icnt,j,k) = ra(i,j,k)
end do
end do
at(icnt) = at(i)
mass(icnt) = mass(i)
aidx(icnt) = aidx(i)
endif
end do
antot = icnt
c
c send particles in negative z direction
c
inz = ipz + 1
if (inz.eq.idz) inz = 0
call i_xyz_to_proc(rnode,ipx,ipy,inz,idx,idy,idz)
call update_buf(rnode)
call ucull
endif
c
c call heapsort(0)
do i = 1, antot
call add_hash_a(aidx(i),i)
end do
c
tmstat(8) = tmstat(8) + wraptime() - tbeg
c
return
end
c
subroutine update_buf(rnode)
#include "common.fh"
c
integer ibuf(2,MAXAT)
double precision cbuf(3,MAXAT),fbuf(3,MAXAT),abuf(3,MAXAT)
double precision vbuf(MAXAT)
double precision tbeg,wraptime
integer i, stot, rtot
integer me,rnode,one,is,ld2,ld3
c
c Reassign all particles to the appropriate node.
c
me = ga_nodeid()
one = 1
ld2 = 2
ld3 = 3
c
tbeg = wraptime()
c
stot = btot
do i = 1, stot
cbuf(1,i) = xcrd(i)
cbuf(2,i) = ycrd(i)
cbuf(3,i) = zcrd(i)
fbuf(1,i) = xfrc(i)
fbuf(2,i) = yfrc(i)
fbuf(3,i) = zfrc(i)
abuf(1,i) = xacc(i)
abuf(2,i) = yacc(i)
abuf(3,i) = zacc(i)
vbuf(i) = mbuf(i)
ibuf(1,i) = bidx(i)
ibuf(2,i) = bat(i)
end do
c
gsize_hi = gsize_lo(me)
call nga_put(g_size,gsize_lo(me),gsize_hi,stot,one)
gcoords_hi(1) = 3
gcoords_hi(2) = gcoords_lo(2,me) + stot - 1
if (stot.gt.0) call nga_put(g_coords,gcoords_lo(1,me),
+ gcoords_hi,cbuf,ld3)
gfrc_hi(1) = 3
gfrc_hi(2) = gfrc_lo(2,me) + stot - 1
if (stot.gt.0) call nga_put(g_frc,gfrc_lo(1,me),gfrc_hi,fbuf,ld3)
gacc_hi(1) = 3
gacc_hi(2) = gacc_lo(2,me) + stot - 1
if (stot.gt.0) call nga_put(g_acc,gacc_lo(1,me),gacc_hi,abuf,ld3)
grvec_hi = grvec_lo(me) + stot - 1
if (stot.gt.0) call nga_put(g_rvec,grvec_lo(me),grvec_hi,vbuf,one)
giat_hi(1) = 2
giat_hi(2) = giat_lo(2,me) + stot - 1
if (stot.gt.0) call nga_put(g_iat,giat_lo(1,me),giat_hi,ibuf,ld2)
c
call ga_sync()
c
gsize_hi = gsize_lo(rnode)
call nga_get(g_size,gsize_lo(rnode),gsize_hi,rtot,one)
gcoords_hi(2) = gcoords_lo(2,rnode) + rtot - 1
if (rtot.gt.0) call nga_get(g_coords,gcoords_lo(1,rnode),
+ gcoords_hi,cbuf,ld3)
gfrc_hi(2) = gfrc_lo(2,rnode) + rtot - 1
if (rtot.gt.0) call nga_get(g_frc,gfrc_lo(1,rnode),
+ gfrc_hi,fbuf,ld3)
gacc_hi(2) = gacc_lo(2,rnode) + rtot - 1
if (rtot.gt.0) call nga_get(g_acc,gacc_lo(1,rnode),
+ gacc_hi,abuf,ld3)
grvec_hi = grvec_lo(rnode) + rtot - 1
if (rtot.gt.0) call nga_get(g_rvec,grvec_lo(rnode),
+ grvec_hi,vbuf,one)
giat_hi(2) = giat_lo(2,rnode) + rtot - 1
if (rtot.gt.0) call nga_get(g_iat,giat_lo(1,rnode),
+ giat_hi,ibuf,ld2)
c
do i = 1, rtot
xcrd(i) = cbuf(1,i)
ycrd(i) = cbuf(2,i)
zcrd(i) = cbuf(3,i)
xfrc(i) = fbuf(1,i)
yfrc(i) = fbuf(2,i)
zfrc(i) = fbuf(3,i)
xacc(i) = abuf(1,i)
yacc(i) = abuf(2,i)
zacc(i) = abuf(3,i)
mbuf(i) = vbuf(i)
bidx(i) = ibuf(1,i)
bat(i) = ibuf(2,i)
end do
c
btot = rtot
call ga_sync()
c
tmstat(13) = tmstat(13) + wraptime() - tbeg
c
return
end
c
subroutine ucull
#include "common.fh"
c
double precision xmax,ymax,zmax,xmin,ymin,zmin
double precision xt,yt,zt
integer pnum,inode,idx,idy,idz,ipx,ipy,ipz
integer i,icnt
c
pnum = ga_nnodes()
call factor(pnum,idx,idy,idz)
inode = ga_nodeid()
call i_proc_to_xyz(inode,ipx,ipy,ipz,idx,idy,idz)
c
c determine local boundaries
c
xmax = xbox*dble(ipx+1)/dble(idx)
ymax = ybox*dble(ipy+1)/dble(idy)
zmax = zbox*dble(ipz+1)/dble(idz)
xmin = xbox*dble(ipx)/dble(idx)
ymin = ybox*dble(ipy)/dble(idy)
zmin = zbox*dble(ipz)/dble(idz)
xmax = xmax - xbox2
ymax = ymax - ybox2
zmax = zmax - zbox2
xmin = xmin - xbox2
ymin = ymin - ybox2
zmin = zmin - zbox2
c
c select out particles from buffers that belong on the home array
c
icnt = 0
do i = 1, btot
xt = xcrd(i) - xbox*anint(xcrd(i)/xbox)
yt = ycrd(i) - ybox*anint(ycrd(i)/ybox)
zt = zcrd(i) - zbox*anint(zcrd(i)/zbox)
antot = antot + 1
ra(antot,1,6) = xcrd(i)
ra(antot,2,6) = ycrd(i)
ra(antot,3,6) = zcrd(i)
ra(antot,1,2) = xfrc(i)
ra(antot,2,2) = yfrc(i)
ra(antot,3,2) = zfrc(i)
ra(antot,1,3) = xacc(i)
ra(antot,2,3) = yacc(i)
ra(antot,3,3) = zacc(i)
ra(antot,1,1) = xt
ra(antot,2,1) = yt
ra(antot,3,1) = zt
at(antot) = bat(i)
mass(antot) = mbuf(i)
aidx(antot) = bidx(i)
end do
btot = icnt
c
return
end
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