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trying to get hondo to be quiet

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This commit is contained in:
Robert Harrison 1999-05-11 23:42:45 +00:00
parent e415ff76da
commit 33a4d4f4fd
1 changed files with 41 additions and 18 deletions
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59
src/driver/opt_drv.F
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@ -1,5 +1,5 @@
logical function drv_opt(rtdb)
C$Id: opt_drv.F,v 1.56 1999-05-08 19:10:06 d3g681 Exp $
C$Id: opt_drv.F,v 1.57 1999-05-11 23:42:45 d3g681 Exp $
implicit none
#include "mafdecls.fh"
#include "rtdb.fh"
@ -108,7 +108,8 @@ c
out =out.or.dbug
some=.false.
some=some.or.out
if (ga_nodeid().eq.0.or.some) then
if ((ga_nodeid().eq.0.or.some) .and.
$ util_print('information', print_low)) then
write(iw,9999)
endif
c
@ -167,7 +168,8 @@ c
endif
endif
c
if (ga_nodeid().eq.0.or.dbug) then
if (util_print('information', print_low) .and.
$ (ga_nodeid().eq.0.or.dbug)) then
write(iw,9996) cvgopt,nptopt,linopt,inhess,modupd,
1 modsad,moddir,
2 sadstp
@ -187,7 +189,8 @@ c
hnd_optx=hnd_sadx(rtdb,idriver)
return
else
if (ga_nodeid().eq.0.or.some) then
if ((ga_nodeid().eq.0.or.some) .and.
$ util_print('information', print_low)) then
write(iw,9994)
endif
endif
@ -235,7 +238,8 @@ c
endif
call ga_sync()
status = rtdb_parallel(.true.)
if (ga_nodeid().eq.0.or.dbug) then
if ((ga_nodeid().eq.0.or.dbug) .and.
$ util_print('information', print_low)) then
if(nzfrz.gt.0) then
write(iw,9993) nzfrz
write(iw,9992) (izfrz(i),i=1,nzfrz)
@ -364,7 +368,8 @@ c
c ----- exit if converged -----
c
if(cvged) then
if (ga_nodeid().eq.0.or.dbug) then
if ((ga_nodeid().eq.0.or.dbug) .and.
$ util_print('geometry',print_low)) then
write(iw,9998)
if (.not. geom_print(geom)) call errquit
$ ('hnd_opt_drv: geom_print?',0)
@ -444,7 +449,9 @@ c
call hnd_opt_converge(rtdb,cvged)
call hnd_opt_print(rtdb)
if(cvged) then
if (ga_nodeid().eq.0.or.dbug) then
if ((ga_nodeid().eq.0.or.dbug)
$ .and. util_print('geometry',print_low)) then
write(iw,9998)
if (.not. geom_print(geom)) call errquit
$ ('hnd_opt_drv: geom_print?',0)
@ -835,6 +842,7 @@ c
#include "global.fh"
#include "mafdecls.fh"
#include "geom.fh"
#include "util.fh"
integer rtdb
logical cvged
parameter (mxatom=500)
@ -849,16 +857,17 @@ c
1 modsad,
2 convggm,convgg,convge,maxiter
c
if( ga_nodeid().eq.0) then
if((ga_nodeid().eq.0) .and.
$ util_print('optimization',print_low)) then
write(iw,9999) gmax,cvgopt,gmax0
endif
c
cvged=gmax.lt.cvgopt
c
return
9999 format(' largest component of the gradient = ',F14.7,
1 ' ( cvgopt = ',F14.7,' ) ',/,
2 ' previous largest component of the gradient = ',F14.7)
9999 format(' largest component of the gradient =',F11.7,
1 ' (cvgopt =',F11.7,') ',/,
2 ' previous largest component of the gradient =',F11.7)
end
subroutine hnd_opt_energy(rtdb,geom)
implicit double precision (a-h,o-z)
@ -866,6 +875,7 @@ c
#include "rtdb.fh"
#include "geom.fh"
#include "global.fh"
#include "util.fh"
integer rtdb
integer geom
logical task_energy
@ -885,7 +895,8 @@ c
c
dbug=.false.
c
if( ga_nodeid().eq.0.or.dbug) then
if((ga_nodeid().eq.0.or.dbug) .and.
$ util_print('optimization',print_low)) then
write(iw,9999) nserch,npts
if(dbug) then
write(iw,9996)
@ -900,8 +911,10 @@ c
c
if(nzmat.gt.0) then
call hnd_bandbi(geom,nat,c)
call hnd_zmtprt(geom)
if (ga_nodeid().eq.0) write(iw,9997)
if (util_print('geometry', print_low)) then
call hnd_zmtprt(geom)
if (ga_nodeid().eq.0) write(iw,9997)
endif
endif
c
if (task_energy(rtdb)) then
@ -1577,6 +1590,7 @@ c:: -- read information
#include "msgtypesf.h"
#include "global.fh"
#include "rtdb.fh"
#include "util.fh"
C
C ----- INITIALIZE THE HESSIAN MATRIX -----
C ----- IF -INHESS- EQUALS 1, INPUT THE HESSIAN MATRIX -----
@ -1630,12 +1644,14 @@ C
IF(GA_NODEID().EQ.0) THEN
OLD_HESSIAN=DRIVER_OPT_GET_HESS(HSS,NCOOR,NCOOR)
IF(OLD_HESSIAN) THEN
WRITE(IW,9993)
if (util_print('information', print_low))
$ WRITE(IW,9993)
IF(SOME) THEN
CALL HND_PRSQ(HSS,NCOOR,NCOOR,NCOOR)
ENDIF
ELSE
WRITE(IW,9992)
if (util_print('information', print_low))
$ WRITE(IW,9992)
ENDIF
ENDIF
CALL GA_SYNC()
@ -2230,6 +2246,7 @@ c
endif
c
rewind ift
write(ift) mint
write(ift) ((hess(i,j),i=1,mint),j=1,mint)
c
close(ift,status='keep')
@ -2258,6 +2275,9 @@ c
integer ift
logical dbug
logical out
c
integer mmint
c
common/hnd_iofile/ir,iw
double precision hess(mint,mint)
character*255 opt_hess_fil
@ -2278,6 +2298,8 @@ c
endif
c
rewind ift
read(ift,end=910,err=910) mmint
if (mint .ne. mmint) goto 910
read(ift,end=910,err=910) ((hess(i,j),i=1,mint),j=1,mint)
c
close(ift,status='keep')
@ -3099,9 +3121,9 @@ C
END
SUBROUTINE HND_OPT_PRINT(RTDB)
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
#include "mafdecls.fh"
#include "rtdb.fh"
#include "global.fh"
#include "util.fh"
INTEGER RTDB
PARAMETER (MXATOM=500)
PARAMETER (MXCART=3*MXATOM)
@ -3128,7 +3150,8 @@ C
C ----- PRINT OPTIMIZATION SUMMARY -----
C
DELF=FUNC-FUNC0
IF( GA_NODEID().EQ.0.OR.DBUG) THEN
IF((GA_NODEID().EQ.0.OR.DBUG) .and.
$ util_print('options', print_low)) THEN
WRITE(IW,9999) NSERCH,NUPDAT,NPTS,FUNC,
1 GNORM,ALPHA,CVGED,FUNC0,DELF
ENDIF