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[unres.git]
/
source
/
wham
/
src-M-SAXS-homology
/
wham_multparm.F
diff --git
a/source/wham/src-M-SAXS-homology/wham_multparm.F
b/source/wham/src-M-SAXS-homology/wham_multparm.F
index
a3a862f
..
fd62f05
100644
(file)
--- a/
source/wham/src-M-SAXS-homology/wham_multparm.F
+++ b/
source/wham/src-M-SAXS-homology/wham_multparm.F
@@
-54,13
+54,15
@@
c NaNQ initialization
call initialize
call openunits
call cinfo
call initialize
call openunits
call cinfo
+ write (iout,*) "calling read_general_data"
call read_general_data(*10)
call read_general_data(*10)
-c write (iout,*) "read_general_data"
-c call flush(iout)
+ write (iout,*) "read_general_data"
+ call flush(iout)
+ write (iout,*) "calling molread"
call molread(*10)
call molread(*10)
-c write (iout,*) "molread"
-c call flush(iout)
-c write (iout,*) "MAIN: constr_dist",constr_dist
+ write (iout,*) "molread"
+ call flush(iout)
+ write (iout,*) "MAIN: constr_dist",constr_dist
if (constr_dist.gt.0) call read_dist_constr
#ifdef MPI
c write (iout,*) "Calling proc_groups"
if (constr_dist.gt.0) call read_dist_constr
#ifdef MPI
c write (iout,*) "Calling proc_groups"
@@
-69,16
+71,16
@@
c write (iout,*) "proc_groups exited"
c call flush(iout)
#endif
do ipar=1,nParmSet
c call flush(iout)
#endif
do ipar=1,nParmSet
-c write (iout,*) "Calling parmread",ipar
+ write (iout,*) "Calling parmread",ipar
call parmread(ipar,*10)
if (.not.separate_parset) then
call store_parm(ipar)
call parmread(ipar,*10)
if (.not.separate_parset) then
call store_parm(ipar)
-c write (iout,*) "Finished storing parameters",ipar
+ write (iout,*) "Finished storing parameters",ipar
else if (ipar.eq.myparm) then
call store_parm(1)
else if (ipar.eq.myparm) then
call store_parm(1)
-c write (iout,*) "Finished storing parameters",ipar
+ write (iout,*) "Finished storing parameters",ipar
endif
endif
-c call flush(iout)
+ call flush(iout)
enddo
call read_efree(*10)
if (adaptive) call PMFread
enddo
call read_efree(*10)
if (adaptive) call PMFread