diff --git a/src/cafe/cf_main.F b/src/cafe/cf_main.F
index 9eeb848b35..792eee3b99 100644
--- a/src/cafe/cf_main.F
+++ b/src/cafe/cf_main.F
@@ -1,5 +1,5 @@
       subroutine cf_weight(numw,nums,isat,isml,wbx)
-c $Id: cf_main.F,v 1.124 2002-01-15 23:02:50 d3j191 Exp $
+c $Id: cf_main.F,v 1.125 2002-02-07 00:13:27 d3j191 Exp $
       implicit none
 c
 #include "cf_common.fh"
@@ -1439,6 +1439,7 @@ c
       real*8 wm,wmtot
       logical skip
 c
+      call timer_start(29)
       epmf=zero
       skip=.true.
 c
@@ -1475,12 +1476,16 @@ c
     4 continue
     3 continue
     1 continue
+      call timer_stop(29)
 c
       if(skip) return
 c
+      call timer_start(30)
       call ga_dgop(mcf_59,wpmf,4*numpmf,'+')
       call ga_dgop(mcf_73,xpmf,12*numpmf,'+')
+      call timer_stop(30)
 c
+      call timer_start(31)
       do 6 i=1,numpmf
       if(ipmf(i,6).eq.2.and.lpmfc) goto 6
 c
@@ -1621,6 +1626,7 @@ c      write(*,'(a,f12.6,e12.5,3e12.5)') 'Imp:',rv,(ft(3,j),j=1,3)
       endif
 c
     6 continue
+      call timer_stop(31)
 c
       return
       end
@@ -1642,6 +1648,7 @@ c
       integer i,j,k
       real*8 d,di,dd,dn,dx(3),dfor,df(3),en
 c
+      call timer_start(26)
       edrs=zero
 c
       do 1 i=1,ndrs
@@ -1661,9 +1668,13 @@ c
       endif
     3 continue
     1 continue
+      call timer_stop(26)
 c
+      call timer_start(27)
       call ga_dgop(mcf_59,xdrs,6*ndrs,'+')
+      call timer_stop(27)
 c
+      call timer_start(28)
       do 4 i=1,ndrs
       dx(1)=xdrs(i,1)-xdrs(i,4)
       dx(2)=xdrs(i,2)-xdrs(i,5)
@@ -1716,6 +1727,7 @@ c      endif
       endif
     5 continue
     4 continue
+      call timer_stop(28)
 c
       return
       end
@@ -1739,6 +1751,7 @@ c
 c
       integer i,j,ix
 c
+      call timer_start(23)
       do 1 i=1,nmul
       fmul(i,1)=zero
       fmul(i,2)=zero
@@ -1761,10 +1774,14 @@ c
     2 continue
       if(me.gt.0) imul(i,1)=0
     1 continue
+      call timer_stop(23)
 c
+      call timer_start(24)
       call ga_dgop(mcf_46,xmul,3*mmult,'+')
       call ga_igop(mcf_47,imul,4*mmult,'+')
+      call timer_stop(24)
 c
+      call timer_start(25)
       if(me.eq.0) then
       if(nmult(1).gt.0) then
       ix=1
@@ -1798,9 +1815,13 @@ c
      + xmul,fmul,ess,.true.,.true.,me.eq.0,dbl_mb(i_sti))
       endif
       endif
+      call timer_stop(25)
 c
+      call timer_start(24)
       call ga_brdcst(mcf_74,fmul,3*mmult*ma_sizeof(mt_dbl,1,mt_byte),0)
+      call timer_stop(24)
 c
+      call timer_start(25)
       do 3 i=1,nmul
       do 4 j=1,nums
       if(isgan(j).eq.imul(i,1)) then
@@ -1810,6 +1831,7 @@ c
       endif
     4 continue
     3 continue
+      call timer_stop(25)
 c
       return
       end
diff --git a/src/cafe/pme_grid.F b/src/cafe/pme_grid.F
index a1760f1734..986b88a3d4 100644
--- a/src/cafe/pme_grid.F
+++ b/src/cafe/pme_grid.F
@@ -1,5 +1,5 @@
       subroutine pme_chgrid(ipset,xw,nwmloc,xs,isq,nsaloc,epme)
-c $Id: pme_grid.F,v 1.22 2002-01-28 21:17:35 d3j191 Exp $
+c $Id: pme_grid.F,v 1.23 2002-02-07 00:13:28 d3j191 Exp $
       implicit none
 c
 #include "pme_common.fh"
@@ -9,7 +9,7 @@ c
       real*8 xw(mwm,3,mwa),xs(msa,3),epme
       integer isq(msa)
 c
-      call timer_start(23)
+      call timer_start(33)
 c
       call pme_init()
 c
@@ -17,7 +17,7 @@ c
       call cf_pmecor(ipset,xw,nwmloc,xs,isq,nsaloc,ecorr(ipset))
       lcorr(ipset)=.true.
       endif
-      call timer_stop(23)
+      call timer_stop(33)
 c
       call pme_grid(ipset,xw,nwmloc,xs,isq,nsaloc,
      + int_mb(i_nodp),int_mb(i_knod),int_mb(i_kfr),int_mb(i_kto),
@@ -27,32 +27,32 @@ c
 c
       if(lpnode) then
 c
-      call timer_start(27)
+      call timer_start(37)
 c
       call pme_fft(ngx,ngy,ngz,-2,dbl_mb(i_grd2),dbl_mb(i_grd1),
      + int_mb(i_map1),int_mb(i_map2),int_mb(i_knod),imfft)
 c
-      call timer_stop(27)
-      call timer_start(28)
+      call timer_stop(37)
+      call timer_start(38)
 c
       call cf_epme(int_mb(i_knod),int_mb(i_kfr),int_mb(i_kto),
      + dbl_mb(i_bmod),dbl_mb(i_grd1),mgz,epme)
 c
       epme=epme+ecorr(ipset)
 c
-      call timer_stop(28)
-      call timer_start(29)
+      call timer_stop(38)
+      call timer_start(39)
 c
       call pme_sync(nodpme,int_mb(i_nodp))
 c
-      call timer_stop(29)
-      call timer_start(30)
+      call timer_stop(39)
+      call timer_start(40)
 c
       call pme_fft(ngx,ngy,ngz,1,dbl_mb(i_grd1),dbl_mb(i_grd2),
      + int_mb(i_map1),int_mb(i_map2),int_mb(i_knod),imfft)
 c
-      call timer_stop(30)
-      call timer_start(31)
+      call timer_stop(40)
+      call timer_start(41)
 c
       call pme_putgrd(dbl_mb(i_grd2))
 c
@@ -65,13 +65,13 @@ c     grid calculation has completed
 c
       if(me.eq.int_mb(i_nodp)) call pme_flag(0,1,-1)
 c
-      call timer_stop(31)
+      call timer_stop(41)
       endif
 c
-      call timer_start(31)
+      call timer_start(41)
       if(icntrl.eq.1) call ga_sync()
 c
-      call timer_stop(31)
+      call timer_stop(41)
 c
       return
       end
@@ -86,14 +86,14 @@ c
       real*8 xw(mwm,3,mwa),xs(msa,3),epme
       integer isq(msa)
 c
-      call timer_start(23)
+      call timer_start(33)
       call pme_init()
 c
       if(.not.lcorr(ipset)) then
       call cf_pmecor(ipset,xw,nwmloc,xs,isq,nsaloc,ecorr(ipset))
       lcorr(ipset)=.true.
       endif
-      call timer_stop(23)
+      call timer_stop(33)
 c
       call pme_grid(ipset,xw,nwmloc,xs,isq,nsaloc,
      + int_mb(i_nodp),int_mb(i_knod),int_mb(i_kfr),int_mb(i_kto),
@@ -103,20 +103,20 @@ c
 c
       if(.not.lpnode) return
 c
-      call timer_start(27)
+      call timer_start(37)
 c
       call pme_fft(ngx,ngy,ngz,-2,dbl_mb(i_grd2),dbl_mb(i_grd1),
      + int_mb(i_map1),int_mb(i_map2),int_mb(i_knod),imfft)
 c
-      call timer_stop(27)
-      call timer_start(28)
+      call timer_stop(37)
+      call timer_start(38)
 c
       call cf_epme(int_mb(i_knod),int_mb(i_kfr),int_mb(i_kto),
      + dbl_mb(i_bmod),dbl_mb(i_grd1),mgz,epme)
 c
       epme=epme+ecorr(ipset)
 c
-      call timer_stop(28)
+      call timer_stop(38)
 c
       return
       end
@@ -141,7 +141,7 @@ c
       integer ilsl,ihsl,jlsl,jhsl
       logical lset,lgrid
 c
-      call timer_start(24)
+      call timer_start(34)
 c
       lset=.true.
 c
@@ -166,8 +166,8 @@ c
       if(lgrid) then
       lnode(node+1)=1
 c
-      call timer_stop(24)
-      call timer_start(25)
+      call timer_stop(34)
+      call timer_start(35)
 c
       do 21 k=1,ngznon
       if(lsldo(node+1,k)) then
@@ -176,8 +176,8 @@ c
      + jlsl+maxy-1,gridr(minx,miny,k),mgx,one)
       endif
    21 continue
-      call timer_stop(25)
-      call timer_start(24)
+      call timer_stop(35)
+      call timer_start(34)
 c
       endif
 c
@@ -185,8 +185,8 @@ c
 c
 c     pmenodes should wait until all nodes have finished contributions to the grid
 c
-      call timer_stop(24)
-      call timer_start(26)
+      call timer_stop(34)
+      call timer_start(36)
 c
 c     the following pme_flag/pme_wait/pme_flag combination may be
 c     replaced by a ga_sync() at loss of performance
@@ -209,7 +209,7 @@ c
    24 continue
    23 continue
       endif
-      call timer_stop(26)
+      call timer_stop(36)
 c
       return
       end
@@ -284,10 +284,10 @@ c
 c
 c     wait until potential grid is available
 c
-      call timer_start(38)
+      call timer_start(48)
       call pme_wait(0,1)
-      call timer_stop(38)
-      call timer_start(39)
+      call timer_stop(48)
+      call timer_start(49)
 c
       do 1 inode=1,np
       node=me+inode
@@ -304,18 +304,18 @@ c
       if(kto(node+1).gt.0) ngznon=kto(node+1)-kfrom(node+1)+1
       if(ngznon.eq.0) goto 1
 c
-      call timer_stop(39)
-      call timer_start(40)
+      call timer_stop(49)
+      call timer_start(50)
       call pme_getgrd(node,ngznon,dbl_mb(i_grd1))
-      call timer_stop(40)
-      call timer_start(39)
+      call timer_stop(50)
+      call timer_start(49)
 c
       call cf_fpme(fw,nwmloc,fs,isq,nsaloc,dbl_mb(i_grd1),mgz,
      + int_mb(i_knod),int_mb(i_kfr),log_mb(i_lsld),node)
 c
     1 continue
 c
-      call timer_stop(39)
+      call timer_stop(49)
 c
       return
       end
diff --git a/src/nwmd/md_main.F b/src/nwmd/md_main.F
index 52d00a8f6f..0eef21db64 100644
--- a/src/nwmd/md_main.F
+++ b/src/nwmd/md_main.F
@@ -1,6 +1,6 @@
       subroutine md_main()
 c
-c $Id: md_main.F,v 1.117 2002-01-28 21:17:25 d3j191 Exp $
+c $Id: md_main.F,v 1.118 2002-02-07 00:13:37 d3j191 Exp $
 c
       implicit none
 c
@@ -969,7 +969,7 @@ c
 c
       call md_newton()
 c
-      call timer_start(51)
+      call timer_start(61)
       call prp_proper(mdstep,stime,eww,dbl_mb(i_esw),
      + dbl_mb(i_ess),dbl_mb(i_esk),epme,uqmd,uqmmm,
      + epot,epotw,epotsw,epots,volume,dwr,dbl_mb(i_dsr),ekin,etot,
@@ -977,7 +977,7 @@ c
       call md_server
       call prp_step(mdstep,stime,eww,dbl_mb(i_esw),
      + dbl_mb(i_ess),dbl_mb(i_esk),epme,uqmd,uqmmm)
-      call timer_stop(51)
+      call timer_stop(61)
 c
       call timer_start(15)
 c
@@ -1000,13 +1000,13 @@ c
       endif
       call timer_stop(15)
 c
-      call timer_start(52)
+      call timer_start(62)
       mdt=' '
       if(iguide.gt.0) mdt='g'
       write(projct,4000) mdt,mequi,idacq,tmpext,prsext,filnam(1:41)
  4000 format('md',a1,i7,' + ',i7,' @',f7.2,e9.2,' ',a)
       if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,filrst,.true.)
-      call timer_stop(52)
+      call timer_stop(62)
       if(frequency(mdstep,nftime)) call md_wrtime
 c
       call timer_stop(1)
@@ -1204,13 +1204,6 @@ c
 c
       mdstep=mdstep+1
       stime=stime+tstep
-c
-      lxw=frequency(mdstep,nfcoor)
-      lvw=frequency(mdstep,nfvelo)
-      lfw=frequency(mdstep,nfforc)
-      lxs=frequency(mdstep,nfscoo)
-      lvs=frequency(mdstep,nfsvel)
-      lfs=frequency(mdstep,nfsfor)
 c
 c     debug code
 c
@@ -1378,34 +1371,34 @@ c
 c
 c     self-guided forces
 c
-      call timer_start(45)
+      call timer_start(55)
       if(iguide.gt.0) then
       call md_guided(dbl_mb(i_fw),dbl_mb(i_fs),
      + dbl_mb(i_gw),dbl_mb(i_gs))
       endif
-      call timer_stop(45)
+      call timer_stop(55)
 c
 c     time step
 c
-      call timer_start(46)
+      call timer_start(56)
       call cf_mdstep(int_mb(i_iw+(lwdyn-1)*mwm),dbl_mb(i_xw),
      + dbl_mb(i_yw),dbl_mb(i_vw),dbl_mb(i_vwt),dbl_mb(i_fw),nwmloc,
      + int_mb(i_is+(lsdyn-1)*msa),int_mb(i_is+(lsatt-1)*msa),
      + dbl_mb(i_xs),dbl_mb(i_ys),dbl_mb(i_vs),dbl_mb(i_vst),
      + dbl_mb(i_fs),nsaloc,int_mb(i_iw+(lwgmn-1)*mwm),
      + int_mb(i_is+(lsgan-1)*msa),tmpext)
-      call timer_stop(46)
+      call timer_stop(56)
 c
 c     shake
 c
-      call timer_start(47)
+      call timer_start(57)
       call md_shake(dbl_mb(i_xw),dbl_mb(i_yw),int_mb(i_iw),
      + dbl_mb(i_xs),dbl_mb(i_ys),int_mb(i_is),dxmax)
-      call timer_stop(47)
+      call timer_stop(57)
 c
 c     coordinate scaling
 c
-      call timer_start(48)
+      call timer_start(58)
       call cf_final(dbl_mb(i_xw),dbl_mb(i_xwm),dbl_mb(i_yw),
      + dbl_mb(i_vw),dbl_mb(i_vwt),nwmloc,
      + dbl_mb(i_xs),dbl_mb(i_xsm),dbl_mb(i_ys),dbl_mb(i_vs),
@@ -1413,11 +1406,11 @@ c
      + int_mb(i_is+(lsmol-1)*msa),int_mb(i_is+(lsdyn-1)*msa),
      + int_mb(i_is+(lsfrc-1)*msa),dbl_mb(i_zs),
      + dbl_mb(i_esk),nsaloc,box,vlat,pres,temp,tempw,temps)
-      call timer_stop(48)
+      call timer_stop(58)
 c
 c     center of mass coordinates
 c
-      call timer_start(49)
+      call timer_start(59)
 c
       call cf_cenmas(nwmloc,dbl_mb(i_xw),dbl_mb(i_xwm),nsaloc,
      + int_mb(i_is+(lsatt-1)*msa),int_mb(i_is+(lsmol-1)*msa),
@@ -1449,8 +1442,8 @@ c
      + dbl_mb(i_vw),dbl_mb(i_vs),int_mb(i_iw+(lwdyn-1)*mwm),
      + int_mb(i_is+(lsdyn-1)*msa),int_mb(i_is+(lsatt-1)*msa))
       endif
-      call timer_stop(49)
-      call timer_start(50)
+      call timer_stop(59)
+      call timer_start(60)
 c
 c     update decomposition module
 c
@@ -1462,7 +1455,7 @@ c
 c
       lfirst=.false.
 c
-      call timer_stop(50)
+      call timer_stop(60)
       call timer_stop(3)
 c
       return
@@ -1631,34 +1624,36 @@ c
      + isl(1,lsmol),
      + dbl_mb(i_xs),dbl_mb(i_xsm),dbl_mb(i_fs),
      + dbl_mb(i_xw),dbl_mb(i_xwm),dbl_mb(i_fw))
+      call timer_stop(21)
+      call timer_start(22)
       if(ifield.gt.0) call cf_extern(stime,nsaloc,dbl_mb(i_fs),
      + isl(1,lsct1),nwmloc,dbl_mb(i_fw))
+      call timer_stop(22)
       call cf_multi(nsaloc,dbl_mb(i_xs),dbl_mb(i_fs),isl(1,lsgan),
      + isl(1,lsatt),isl(1,lsfrc),isl(1,lsdyn),isl(1,lsct1),
      + dbl_mb(i_ess),lfnpmf,.not.lequi,npmf.eq.1.or.lpmfc)
-      call timer_stop(21)
 c
-      call timer_start(22)
+      call timer_start(32)
       if(ipolt.gt.0) then
       call md_induce(iwl,isl,xw,xwm,xs,dbl_mb(i_pw),
      + dbl_mb(i_pwp),dbl_mb(i_ps),dbl_mb(i_psp))
       endif
-      call timer_stop(22)
+      call timer_stop(32)
 c
       if(ipme.gt.0) then
       if(lpert2) then
       call pme_energy(2,dbl_mb(i_xw),nwmloc,dbl_mb(i_xs),
      + isl(1,lsct1),nsaloc,epme(2))
-      call timer_start(23)
+      call timer_start(33)
       call pme_init()
-      call timer_stop(23)
+      call timer_stop(33)
       endif
       if(lpert3) then
       call pme_energy(3,dbl_mb(i_xw),nwmloc,dbl_mb(i_xs),
      + isl(1,lsct1),nsaloc,epme(3))
-      call timer_start(23)
+      call timer_start(33)
       call pme_init()
-      call timer_stop(23)
+      call timer_stop(33)
       endif
       call pme_chgrid(iset,dbl_mb(i_xw),nwmloc,dbl_mb(i_xs),
      + isl(1,lsct1),nsaloc,epme(iset))
@@ -1684,26 +1679,26 @@ c
 c
       call md_fclass(iwl,isl,xw,xwm,xs,fw,fs)
 c
-      call timer_start(41)
+      call timer_start(51)
       call timer_start(2)
       call timer_start(4)
       call ga_sync()
       call timer_stop(4)
       call timer_stop(2)
-      call timer_stop(41)
+      call timer_stop(51)
 c
-      call timer_start(42)
+      call timer_start(52)
       call sp_final(fw,fs,lpair,int_mb(i_iwz),int_mb(i_isz))
-      call timer_stop(42)
+      call timer_stop(52)
 c
-      call timer_start(43)
+      call timer_start(53)
       if(lqmmm) then
       call qmmm_forces(irtdb,mwm,nwmloc,mwa,nwa,int_mb(i_iwz),xw,fw,
      + msa,nsaloc,int_mb(i_is+(lsatt-1)*msa),int_mb(i_is+(lsdyn-1)*msa),
      + int_mb(i_is+(lsct1-1)*msa),int_mb(i_isz),xs,fs,uqmmm)
       uqmmm=uqmmm-uqmatm
       endif
-      call timer_stop(43)
+      call timer_stop(53)
 c
       if(ltwin) then
       do 1 j=1,3
@@ -1720,10 +1715,10 @@ c
 c
       endif
 c
-      call timer_start(44)
+      call timer_start(54)
       call cf_fnorm(iwl(1,lwdyn),fw,nwmloc,
      + isl(1,lsatt),isl(1,lsdyn),fs,nsaloc,fnorm,fmax)
-      call timer_stop(44)
+      call timer_stop(54)
 c
       return
       end
@@ -1802,18 +1797,18 @@ c
       integer itcom1,itforc,itcom2
 c
       local=.true.
-      itcom1=32
-      itforc=33
-      itcom2=34
+      itcom1=42
+      itforc=43
+      itcom2=44
 c
       call sp_nbbl(nbbl)
 c
       do 1 ibbl=1,nbbl
 c
       if(local.and..not.sp_local(ibbl)) then
-      itcom1=35
-      itforc=36
-      itcom2=37
+      itcom1=45
+      itforc=46
+      itcom2=47
       local=.false.
       endif
 c
@@ -2189,7 +2184,7 @@ c
 c
       integer i
 c
-      do 1 i=10,52
+      do 1 i=10,62
       call timer_reset(i)
     1 continue
 c
@@ -2207,26 +2202,26 @@ c
       real*8 timer_wall,timer_wall_total
 c
       integer i,j
-      real*8 tim(44,1024)
+      real*8 tim(54,1024)
 c
       do 1 i=1,np
-      do 2 j=1,44
+      do 2 j=1,54
       tim(j,i)=zero
     2 continue
     1 continue
 c
-      do 3 i=1,43
+      do 3 i=1,53
       tim(i,me+1)=timer_wall_total(i+9)
-      tim(44,me+1)=tim(44,me+1)+tim(i,me+1)
+      tim(54,me+1)=tim(54,me+1)+tim(i,me+1)
     3 continue
 c
-      call ga_dgop(mrg_d04,tim,44*np,'+')
+      call ga_dgop(mrg_d04,tim,54*np,'+')
 c
       if(me.eq.0) then
       write(lfntim,1000) stime
  1000 format('timings',/,f12.6)
       do 1002 j=1,np
-      write(lfntim,1001) (tim(i,j),i=1,44)
+      write(lfntim,1001) (tim(i,j),i=1,54)
  1001 format(10f7.3)
  1002 continue
       endif
@@ -2235,7 +2230,7 @@ c
       end
       subroutine md_test
 c
-c $Id: md_main.F,v 1.117 2002-01-28 21:17:25 d3j191 Exp $
+c $Id: md_main.F,v 1.118 2002-02-07 00:13:37 d3j191 Exp $
 c
       implicit none
 c
diff --git a/src/nwmd/md_start.F b/src/nwmd/md_start.F
index 80560509f1..8e008fa95b 100644
--- a/src/nwmd/md_start.F
+++ b/src/nwmd/md_start.F
@@ -1,6 +1,6 @@
       subroutine md_start
 c
-c $Id: md_start.F,v 1.111 2002-02-02 16:32:26 d3j191 Exp $
+c $Id: md_start.F,v 1.112 2002-02-07 00:13:38 d3j191 Exp $
 c
       implicit none
 c
@@ -1212,7 +1212,7 @@ c
       if(nftime.gt.0) then
       open(unit=lfntim,file=filtim(1:index(filtim,' ')-1),
      + form='formatted',status='unknown')
-      write(lfntim,1200) np,44
+      write(lfntim,1200) np,54
  1200 format(2i5)
       write(lfntim,1201)
       write(lfntim,1202)
@@ -1258,6 +1258,16 @@ c
       write(lfntim,1242)
       write(lfntim,1243)
       write(lfntim,1244)
+      write(lfntim,1245)
+      write(lfntim,1246)
+      write(lfntim,1247)
+      write(lfntim,1248)
+      write(lfntim,1249)
+      write(lfntim,1250)
+      write(lfntim,1251)
+      write(lfntim,1252)
+      write(lfntim,1253)
+      write(lfntim,1254)
  1201 format('  1 : Initialization velocities')
  1202 format('  2 : Periodic Boundary Conditions')
  1203 format('  3 : Dynamic Load Balancing')
@@ -1269,39 +1279,49 @@ c
  1209 format('  9 : Synchronization')
  1210 format(' 10 : SPACE Initialization')
  1211 format(' 11 : Synchronization')
- 1212 format(' 12 : Replicated Data Forces Evaluation')
- 1213 format(' 13 : Induced Dipoles Evaluation')
- 1214 format(' 14 : PME Initialization')
- 1215 format(' 15 : PME Charge Grid Evaluation')
- 1216 format(' 16 : PME Charge Grid Communication')
- 1217 format(' 17 : PME Charge Grid Retrieval')
- 1218 format(' 18 : PME Reverse 3D-pFFT')
- 1219 format(' 19 : PME Energy Evaluation')
- 1220 format(' 20 : PME Synchronization')
- 1221 format(' 21 : PME Forward 3D-pFFT')
- 1222 format(' 22 : PME Synchronization')
- 1223 format(' 23 : Local Coordinates Retrieval')
- 1224 format(' 24 : Local Forces Evaluation')
- 1225 format(' 25 : Local Force Accumulation')
- 1226 format(' 26 : Non-Local Coordinates Retrieval')
- 1227 format(' 27 : Non-Local Forces Evaluation')
- 1228 format(' 28 : Non-Local Force Accumulation')
- 1229 format(' 29 : PME Wait')
- 1230 format(' 30 : PME Forces Evaluation')
- 1231 format(' 31 : PME Forces Communication')
- 1232 format(' 32 : Synchronization')
- 1233 format(' 33 : SPACE Finalization')
- 1234 format(' 34 : QM/MM Forces Evaluation')
- 1235 format(' 35 : Forces Normalization')
- 1236 format(' 36 : Guided MD Forces')
- 1237 format(' 37 : MD Time Step')
- 1238 format(' 38 : SHAKE')
- 1239 format(' 39 : CAFE Finalization')
- 1240 format(' 40 : Center of Mass Motion Removal')
- 1241 format(' 41 : SPACE Update')
- 1242 format(' 42 : Property Evaluation')
- 1243 format(' 43 : Property Recording')
- 1244 format(' 44 : TOTAL TIME PER STEP')
+ 1212 format(' 12 : Collapse Option')
+ 1213 format(' 13 : External Fields')
+ 1214 format(' 14 : Multiprocs Data Initialization')
+ 1215 format(' 15 : Multiprocs Data Communication')
+ 1216 format(' 16 : Multiprocs Data Forces Evaluation')
+ 1217 format(' 17 : Restraints Data Initialization')
+ 1218 format(' 18 : Restraints Data Communication')
+ 1219 format(' 19 : Restraints Data Forces Evaluation')
+ 1220 format(' 20 : PMF Data Initialization')
+ 1221 format(' 21 : PMF Data Communication')
+ 1222 format(' 22 : PMF Data Forces Evaluation')
+ 1223 format(' 23 : Induced Dipoles Evaluation')
+ 1224 format(' 24 : PME Initialization')
+ 1225 format(' 25 : PME Charge Grid Evaluation')
+ 1226 format(' 26 : PME Charge Grid Communication')
+ 1227 format(' 27 : PME Charge Grid Retrieval')
+ 1228 format(' 28 : PME Reverse 3D-pFFT')
+ 1229 format(' 29 : PME Energy Evaluation')
+ 1230 format(' 20 : PME Synchronization')
+ 1231 format(' 21 : PME Forward 3D-pFFT')
+ 1232 format(' 22 : PME Synchronization')
+ 1233 format(' 23 : Local Coordinates Retrieval')
+ 1234 format(' 24 : Local Forces Evaluation')
+ 1235 format(' 25 : Local Force Accumulation')
+ 1236 format(' 36 : Non-Local Coordinates Retrieval')
+ 1237 format(' 37 : Non-Local Forces Evaluation')
+ 1238 format(' 38 : Non-Local Force Accumulation')
+ 1239 format(' 39 : PME Wait')
+ 1240 format(' 30 : PME Forces Evaluation')
+ 1241 format(' 31 : PME Forces Communication')
+ 1242 format(' 32 : Synchronization')
+ 1243 format(' 33 : SPACE Finalization')
+ 1244 format(' 34 : QM/MM Forces Evaluation')
+ 1245 format(' 35 : Forces Normalization')
+ 1246 format(' 46 : Guided MD Forces')
+ 1247 format(' 47 : MD Time Step')
+ 1248 format(' 48 : SHAKE')
+ 1249 format(' 49 : CAFE Finalization')
+ 1250 format(' 40 : Center of Mass Motion Removal')
+ 1251 format(' 41 : SPACE Update')
+ 1252 format(' 42 : Property Evaluation')
+ 1253 format(' 43 : Property Recording')
+ 1254 format(' 44 : TOTAL TIME PER STEP')
 c          
       endif
       if(itest.gt.0) then
diff --git a/src/nwmd/prp_init.F b/src/nwmd/prp_init.F
index ffe6b14d41..bb81329754 100644
--- a/src/nwmd/prp_init.F
+++ b/src/nwmd/prp_init.F
@@ -4,7 +4,7 @@
      + nwmtot,msfi,nsfi,mpei,mdacq,mrn,ipset,isetp1,isetp2,tstp,
      + msmi,nsmi,nsai,ddi,edi,iprf,npmf,npenrg,ndistr,lpbc,nbiasi)
 c
-c $Id: prp_init.F,v 1.45 2002-02-03 16:46:17 d3j191 Exp $
+c $Id: prp_init.F,v 1.46 2002-02-07 00:13:38 d3j191 Exp $
 c
       implicit none
 c
@@ -349,20 +349,20 @@ c
     5 continue
       endif
 c
-      if(msm.gt.0) then
+      if(msm.gt.0.and.npstat.gt.0) then
       if(it+2*nsm.gt.maxpro)
      + call errquit('Increase dimension maxpro',0)
       do 7 i=1,nsm
       it=it+1
       pronam(it)='Moment of inertia solute molecule       kg nm2/mol'
       write(pronam(it)(34:38),'(i5)') i
-      if(npstat.gt.0) lp(it)=.true.
+      lp(it)=.true.
     7 continue
       do 8 i=1,nsm
       it=it+1
       pronam(it)='Radius of gyration solute molecule              nm'
       write(pronam(it)(34:38),'(i5)') i
-      if(npstat.gt.0) lp(it)=.true.
+      lp(it)=.true.
     8 continue
       endif
 c
@@ -405,7 +405,37 @@ c
       pronam(it)='Prof: Synchronization                            s'
       lp(it)=.true.
       it=it+1
-      pronam(it)='Prof: Replicated Data Forces Evaluation          s'
+      pronam(it)='Prof: Collapse Option Calculation                s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: External Field Contribution                s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: Multiprocs Data Initialization             s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: Multiprocs Data Communication              s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: Multiprocs Data Forces Evaluation          s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: Restraints Data Initialization             s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: Restraints Data Communication              s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: Restraints Data Forces Evaluation          s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: PMF Data Initialization                    s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: PMF Data Communication                     s'
+      lp(it)=.true.
+      it=it+1
+      pronam(it)='Prof: PMF Data Forces Evaluation                 s'
       lp(it)=.true.
       it=it+1
       pronam(it)='Prof: Induced Dipoles Evaluation                 s'
diff --git a/src/nwmd/prp_main.F b/src/nwmd/prp_main.F
index 4eca43b97d..69525a1f4c 100644
--- a/src/nwmd/prp_main.F
+++ b/src/nwmd/prp_main.F
@@ -1,6 +1,6 @@
       subroutine prp_step(mdstep,stime,eww,esw,ess,esk,epme,uqmd,uqmmm)
 c
-c $Id: prp_main.F,v 1.66 2002-01-28 21:17:26 d3j191 Exp $
+c $Id: prp_main.F,v 1.67 2002-02-07 00:13:38 d3j191 Exp $
 c
       implicit none
 c
@@ -253,7 +253,7 @@ c
       endif
       maxp=it
 c
-      if(nsm.gt.0) then
+      if(nsm.gt.0.and.npstat.gt.0) then
       it=maxp
       do 37 i=1,nsm
       it=it+1
@@ -270,7 +270,7 @@ c
       endif
 c
       if(iprof.eq.1) then
-      do 56 i=1,41
+      do 56 i=1,51
       it=it+1
       p(it)=timer_wall_total(i+9)
    56 continue