X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fminimize_p.F;fp=source%2Funres%2Fsrc-HCD-5D%2Fminimize_p.F;h=0b16d55c4dda4d2d53b1677a527f33936631e6e3;hb=43dfdc33f5b338546258b5a882326f97a76b5bd4;hp=41a1a2759993ed5cf489951ce7fa38049e3a56c8;hpb=68aa1d135805a14583695611acfcf637748b4466;p=unres.git diff --git a/source/unres/src-HCD-5D/minimize_p.F b/source/unres/src-HCD-5D/minimize_p.F index 41a1a27..0b16d55 100644 --- a/source/unres/src-HCD-5D/minimize_p.F +++ b/source/unres/src-HCD-5D/minimize_p.F @@ -197,11 +197,11 @@ c---------------------------------------------------------------------------- #endif include 'COMMON.TIME1' double precision z(maxres6),d_a_tmp(maxres6) - double precision edum(0:n_ene),time_order(0:10) + double precision edum(0:n_ene),time_order(0:11) c double precision Gcopy(maxres2,maxres2) c common /przechowalnia/ Gcopy integer icall /0/ - integer i,j,iorder + integer i,j,iorder,ioverlap(maxres),ioverlap_last C Workers wait for variables and NF, and NFL from the boss iorder=0 do while (iorder.ge.0) @@ -301,6 +301,8 @@ c call MATOUT2(my_ng_count,dimen3,maxres2,maxers2,ginv_block) #endif else if (iorder.eq.10) then call setup_fricmat + else if (iorder.eq.11) then + call overlap_sc_list(ioverlap,ioverlap_last,.false.) endif enddo write (*,*) 'Processor',fg_rank,' CG group',kolor,