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remove util_nint references for T3D/T3E

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see previous commit message.  T3D/T3E is no longer supported.  hacks for it are unnecessary.
This commit is contained in:
Jeff Hammond 2017-04-13 13:47:35 +00:00
parent b26bdc32a1
commit 2d06db30e7
11 changed files with 0 additions and 276 deletions
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49
src/argos/argos_prep_misfit.F
View file

@ -9,10 +9,6 @@ c
c
#include "util.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
integer util_nint
external util_nint
#endif
logical md_zmat
external md_zmat
c
@ -463,18 +459,9 @@ c write(*,'(a,4i5)') 'grid ',ix,iy,iz
distx=grid(1,ngrid)-xs(1,k)
disty=grid(2,ngrid)-xs(2,k)
distz=grid(3,ngrid)-xs(3,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.lt.gdist2) goto 16
@ -491,18 +478,9 @@ c write(*,'(a,4i5)') 'grid ',ix,iy,iz
distx=grid(1,ngrid)-xw(1,l,k)
disty=grid(2,ngrid)-xw(2,l,k)
distz=grid(3,ngrid)-xw(3,l,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.lt.gdist2) goto 16
@ -531,18 +509,9 @@ c
distx=grid(1,ngrid)-xs(1,k)
disty=grid(2,ngrid)-xs(2,k)
distz=grid(3,ngrid)-xs(3,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
grid(4,k)=grid(4,k)+fcount*qsa(j)/dist2
@ -559,18 +528,9 @@ c
distx=grid(1,ngrid)-xw(1,l,m)
disty=grid(2,ngrid)-xw(2,l,m)
distz=grid(3,ngrid)-xw(3,l,m)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
grid(4,k)=grid(4,k)+qwa(l)/dist2
@ -626,18 +586,9 @@ c
distx=grid(1,j)-d(1)
disty=grid(2,j)-d(2)
distz=grid(3,j)-d(3)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.ge.gdist2) then

16
src/argos/argos_prep_solvat.F
View file

@ -8,10 +8,6 @@ c
c
#include "util.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
integer util_nint
external util_nint
#endif
integer islv,mwms,mwa,nwms,nwa,mwm,nwm,msa,nsa,lfnout
integer nwmc,mwmc
integer iwmr(mwm)
@ -66,15 +62,9 @@ c
dx=x-xs(1,i)
dy=y-xs(2,i)
dz=z-xs(3,i)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
dx=dx-util_nint(dx/box(1))*box(1)
dy=dy-util_nint(dy/box(2))*box(2)
dz=dz-util_nint(dz/box(3))*box(3)
#else
dx=dx-nint(dx/box(1))*box(1)
dy=dy-nint(dy/box(2))*box(2)
dz=dz-nint(dz/box(3))*box(3)
#endif
if(dx*dx+dy*dy+dz*dz.lt.touch2) goto 9
10 continue
if(nwmc.gt.0) then
@ -83,15 +73,9 @@ c
dx=x-xwc(1,j,i)
dy=y-xwc(2,j,i)
dz=z-xwc(3,j,i)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
dx=dx-util_nint(dx/box(1))*box(1)
dy=dy-util_nint(dy/box(2))*box(2)
dz=dz-util_nint(dz/box(3))*box(3)
#else
dx=dx-nint(dx/box(1))*box(1)
dy=dy-nint(dy/box(2))*box(2)
dz=dz-nint(dz/box(3))*box(3)
#endif
if(dx*dx+dy*dy+dz*dz.lt.touch2) goto 9
12 continue
11 continue

49
src/argos/argos_prepare_misfit.F
View file

@ -9,10 +9,6 @@ c
c
#include "util.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
integer util_nint
external util_nint
#endif
logical md_zmat
external md_zmat
c
@ -463,18 +459,9 @@ c write(*,'(a,4i5)') 'grid ',ix,iy,iz
distx=grid(1,ngrid)-xs(1,k)
disty=grid(2,ngrid)-xs(2,k)
distz=grid(3,ngrid)-xs(3,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.lt.gdist2) goto 16
@ -491,18 +478,9 @@ c write(*,'(a,4i5)') 'grid ',ix,iy,iz
distx=grid(1,ngrid)-xw(1,l,k)
disty=grid(2,ngrid)-xw(2,l,k)
distz=grid(3,ngrid)-xw(3,l,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.lt.gdist2) goto 16
@ -531,18 +509,9 @@ c
distx=grid(1,ngrid)-xs(1,k)
disty=grid(2,ngrid)-xs(2,k)
distz=grid(3,ngrid)-xs(3,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
grid(4,k)=grid(4,k)+fcount*qsa(j)/dist2
@ -559,18 +528,9 @@ c
distx=grid(1,ngrid)-xw(1,l,m)
disty=grid(2,ngrid)-xw(2,l,m)
distz=grid(3,ngrid)-xw(3,l,m)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
grid(4,k)=grid(4,k)+qwa(l)/dist2
@ -626,18 +586,9 @@ c
distx=grid(1,j)-d(1)
disty=grid(2,j)-d(2)
distz=grid(3,j)-d(3)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.ge.gdist2) then

16
src/argos/argos_prepare_solvat.F
View file

@ -8,10 +8,6 @@ c
c
#include "util.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
integer util_nint
external util_nint
#endif
integer islv,mwms,mwa,nwms,nwa,mwm,nwm,msa,nsa,lfnout
integer nwmc,mwmc
integer iwmr(mwm)
@ -66,15 +62,9 @@ c
dx=x-xs(1,i)
dy=y-xs(2,i)
dz=z-xs(3,i)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
dx=dx-util_nint(dx/box(1))*box(1)
dy=dy-util_nint(dy/box(2))*box(2)
dz=dz-util_nint(dz/box(3))*box(3)
#else
dx=dx-nint(dx/box(1))*box(1)
dy=dy-nint(dy/box(2))*box(2)
dz=dz-nint(dz/box(3))*box(3)
#endif
if(dx*dx+dy*dy+dz*dz.lt.touch2) goto 9
10 continue
if(nwmc.gt.0) then
@ -83,15 +73,9 @@ c
dx=x-xwc(1,j,i)
dy=y-xwc(2,j,i)
dz=z-xwc(3,j,i)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
dx=dx-util_nint(dx/box(1))*box(1)
dy=dy-util_nint(dy/box(2))*box(2)
dz=dz-util_nint(dz/box(3))*box(3)
#else
dx=dx-nint(dx/box(1))*box(1)
dy=dy-nint(dy/box(2))*box(2)
dz=dz-nint(dz/box(3))*box(3)
#endif
if(dx*dx+dy*dy+dz*dz.lt.touch2) goto 9
12 continue
11 continue

16
src/argos/argos_space_owners.F
View file

@ -4,10 +4,6 @@ c
c
#include "argos_space_common.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
real*8 util_nint
external util_nint
#endif
c
real*8 xs(msa,3)
real*8 boxsiz(maxbox,3)
@ -69,27 +65,15 @@ cx
c
if(npbtyp.ne.0) then
if(abs(xcgx).gt.boxh(1)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xcgx=xcgx-util_nint(xcgx*boxi(1))*box(1)
#else
xcgx=xcgx-nint(xcgx*boxi(1))*box(1)
#endif
nfold=1
endif
if(abs(xcgy).gt.boxh(2)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xcgy=xcgy-util_nint(xcgy*boxi(2))*box(2)
#else
xcgy=xcgy-nint(xcgy*boxi(2))*box(2)
#endif
nfold=1
endif
if(abs(xcgz).gt.boxh(3)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xcgz=xcgz-util_nint(xcgz*boxi(3))*box(3)
#else
xcgz=xcgz-nint(xcgz*boxi(3))*box(3)
#endif
nfold=1
endif
endif

8
src/argos/argos_space_rdrst.F
View file

@ -43,10 +43,6 @@ c
integer l,m,ib(3),nbox,nb(3),joff,npars,icount,lasts
real*8 xtmin,xtmax,xtx,xt(3)
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
real*8 util_nint
external util_nint
#endif
c
if(.not.ma_verify_allocator_stuff()) then
call md_abort('ERROR IN MEMORY USE ENTERING ARGOS_SPACE_RDRST',0)
@ -417,11 +413,7 @@ c
xtx=0.5d0*(xtmax+xtmin)
if(npbtyp.ne.0) then
if(abs(xtx).gt.boxh(l)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xtx=xtx-util_nint(xtx*boxi(l))*box(l)
#else
xtx=xtx-nint(xtx*boxi(l))*box(l)
#endif
endif
endif
ib(l)=0

16
src/argos/argos_space_trvl.F
View file

@ -36,10 +36,6 @@ c
integer itemps,nfold
logical lend
character*255 string
#if defined(CRAY_T3D) || defined(CRAY_T3E)
real*8 util_nint
external util_nint
#endif
c
boxi(1)=one/box(1)
boxi(2)=one/box(2)
@ -694,27 +690,15 @@ c
xscz=factor*xscz
if(npbtyp.ne.0) then
if(abs(xscx).gt.boxh(1)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xscx=xscx-util_nint(xscx*boxi(1))*box(1)
#else
xscx=xscx-nint(xscx*boxi(1))*box(1)
#endif
nfold=1
endif
if(abs(xscy).gt.boxh(2)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xscy=xscy-util_nint(xscy*boxi(2))*box(2)
#else
xscy=xscy-nint(xscy*boxi(2))*box(2)
#endif
nfold=1
endif
if(abs(xscz).gt.boxh(3)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xscz=xscz-util_nint(xscz*boxi(3))*box(3)
#else
xscz=xscz-nint(xscz*boxi(3))*box(3)
#endif
nfold=1
endif
endif

49
src/prepar/pre_misfit.F
View file

@ -9,10 +9,6 @@ c
c
#include "util.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
integer util_nint
external util_nint
#endif
logical md_zmat
external md_zmat
c
@ -459,18 +455,9 @@ c write(*,'(a,4i5)') 'grid ',ix,iy,iz
distx=grid(1,ngrid)-xs(1,k)
disty=grid(2,ngrid)-xs(2,k)
distz=grid(3,ngrid)-xs(3,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.lt.gdist2) goto 16
@ -487,18 +474,9 @@ c write(*,'(a,4i5)') 'grid ',ix,iy,iz
distx=grid(1,ngrid)-xw(1,l,k)
disty=grid(2,ngrid)-xw(2,l,k)
distz=grid(3,ngrid)-xw(3,l,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.lt.gdist2) goto 16
@ -527,18 +505,9 @@ c
distx=grid(1,ngrid)-xs(1,k)
disty=grid(2,ngrid)-xs(2,k)
distz=grid(3,ngrid)-xs(3,k)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
grid(4,k)=grid(4,k)+fcount*qsa(j)/dist2
@ -555,18 +524,9 @@ c
distx=grid(1,ngrid)-xw(1,l,m)
disty=grid(2,ngrid)-xw(2,l,m)
distz=grid(3,ngrid)-xw(3,l,m)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
grid(4,k)=grid(4,k)+qwa(l)/dist2
@ -622,18 +582,9 @@ c
distx=grid(1,j)-d(1)
disty=grid(2,j)-d(2)
distz=grid(3,j)-d(3)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
if(abs(distx).gt.boxh(1))
+ distx=distx-util_nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2))
+ disty=disty-util_nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3))
+ distz=distz-util_nint(distx/box(3))*box(3)
#else
if(abs(distx).gt.boxh(1)) distx=distx-nint(distx/box(1))*box(1)
if(abs(disty).gt.boxh(2)) disty=disty-nint(distx/box(2))*box(2)
if(abs(distz).gt.boxh(3)) distz=distz-nint(distx/box(3))*box(3)
#endif
dist2=distx**2+disty**2+distz**2
endif
if(dist2.ge.gdist2) then

16
src/prepar/pre_solvat.F
View file

@ -8,10 +8,6 @@ c
c
#include "util.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
integer util_nint
external util_nint
#endif
integer islv,mwms,mwa,nwms,nwa,mwm,nwm,msa,nsa,lfnout
integer nwmc,mwmc
integer iwmr(mwm)
@ -66,15 +62,9 @@ c
dx=x-xs(1,i)
dy=y-xs(2,i)
dz=z-xs(3,i)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
dx=dx-util_nint(dx/box(1))*box(1)
dy=dy-util_nint(dy/box(2))*box(2)
dz=dz-util_nint(dz/box(3))*box(3)
#else
dx=dx-nint(dx/box(1))*box(1)
dy=dy-nint(dy/box(2))*box(2)
dz=dz-nint(dz/box(3))*box(3)
#endif
if(dx*dx+dy*dy+dz*dz.lt.touch2) goto 9
10 continue
if(nwmc.gt.0) then
@ -83,15 +73,9 @@ c
dx=x-xwc(1,j,i)
dy=y-xwc(2,j,i)
dz=z-xwc(3,j,i)
#if defined(CRAY_T3D) || defined(CRAY_T3E)
dx=dx-util_nint(dx/box(1))*box(1)
dy=dy-util_nint(dy/box(2))*box(2)
dz=dz-util_nint(dz/box(3))*box(3)
#else
dx=dx-nint(dx/box(1))*box(1)
dy=dy-nint(dy/box(2))*box(2)
dz=dz-nint(dz/box(3))*box(3)
#endif
if(dx*dx+dy*dy+dz*dz.lt.touch2) goto 9
12 continue
11 continue

9
src/space/sp_init.F
View file

@ -674,11 +674,6 @@ c
c
integer l,m,ib(3),nbox,nb(3),joff,npars,icount,lasts
real*8 xtmin,xtmax,xtx,xt(3)
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
real*8 util_nint
external util_nint
#endif
c
if(.not.ma_verify_allocator_stuff()) then
call md_abort('ERROR IN MEMORY USE ENTERING SP_RDRST',0)
@ -1048,11 +1043,7 @@ c
xtx=0.5d0*(xtmax+xtmin)
if(npbtyp.ne.0) then
if(abs(xtx).gt.boxh(l)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xtx=xtx-util_nint(xtx*boxi(l))*box(l)
#else
xtx=xtx-nint(xtx*boxi(l))*box(l)
#endif
endif
endif
ib(l)=0

32
src/space/sp_main.F
View file

@ -922,10 +922,6 @@ c
c
#include "sp_common.fh"
c
#if defined(CRAY_T3D) || defined(CRAY_T3E)
real*8 util_nint
external util_nint
#endif
c
real*8 xs(msa,3)
real*8 boxsiz(maxbox,3)
@ -987,27 +983,15 @@ cx
c
if(npbtyp.ne.0) then
if(abs(xcgx).gt.boxh(1)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xcgx=xcgx-util_nint(xcgx*boxi(1))*box(1)
#else
xcgx=xcgx-nint(xcgx*boxi(1))*box(1)
#endif
nfold=1
endif
if(abs(xcgy).gt.boxh(2)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xcgy=xcgy-util_nint(xcgy*boxi(2))*box(2)
#else
xcgy=xcgy-nint(xcgy*boxi(2))*box(2)
#endif
nfold=1
endif
if(abs(xcgz).gt.boxh(3)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xcgz=xcgz-util_nint(xcgz*boxi(3))*box(3)
#else
xcgz=xcgz-nint(xcgz*boxi(3))*box(3)
#endif
nfold=1
endif
endif
@ -1159,10 +1143,6 @@ c
integer itemps,nfold
logical lend
character*255 string
#if defined(CRAY_T3D) || defined(CRAY_T3E)
real*8 util_nint
external util_nint
#endif
c
boxi(1)=one/box(1)
boxi(2)=one/box(2)
@ -1817,27 +1797,15 @@ c
xscz=factor*xscz
if(npbtyp.ne.0) then
if(abs(xscx).gt.boxh(1)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xscx=xscx-util_nint(xscx*boxi(1))*box(1)
#else
xscx=xscx-nint(xscx*boxi(1))*box(1)
#endif
nfold=1
endif
if(abs(xscy).gt.boxh(2)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xscy=xscy-util_nint(xscy*boxi(2))*box(2)
#else
xscy=xscy-nint(xscy*boxi(2))*box(2)
#endif
nfold=1
endif
if(abs(xscz).gt.boxh(3)) then
#if defined(CRAY_T3D) || defined(CRAY_T3E)
xscz=xscz-util_nint(xscz*boxi(3))*box(3)
#else
xscz=xscz-nint(xscz*boxi(3))*box(3)
#endif
nfold=1
endif
endif