X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M-SAXS-homology%2Fwham_multparm.F;h=fd62f05b67b3073ee9e527c7c3614f85a4082c67;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=a3a862f0c4f5aca8ab49e0b0e6546b2f57502129;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git 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 --- 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 + write (iout,*) "calling read_general_data" 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) -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" @@ -69,16 +71,16 @@ c write (iout,*) "proc_groups exited" 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) -c write (iout,*) "Finished storing parameters",ipar + write (iout,*) "Finished storing parameters",ipar else if (ipar.eq.myparm) then call store_parm(1) -c write (iout,*) "Finished storing parameters",ipar + write (iout,*) "Finished storing parameters",ipar endif -c call flush(iout) + call flush(iout) enddo call read_efree(*10) if (adaptive) call PMFread