X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2Finitialize_p.F;h=a2e2391914f5acd2eb4bb162f2668191f3548b1c;hb=007e53219477b759888ad8908451f179d61e9738;hp=a650241753d78bb7e605549a354896dd05d0a2fe;hpb=7675ab8ec26554f2fd3f2e7e427b177254872a45;p=unres.git diff --git a/source/unres/src_MD-M/initialize_p.F b/source/unres/src_MD-M/initialize_p.F index a650241..a2e2391 100644 --- a/source/unres/src_MD-M/initialize_p.F +++ b/source/unres/src_MD-M/initialize_p.F @@ -344,7 +344,7 @@ C... to deal with by current processor. itask_cont_from(i)=fg_rank itask_cont_to(i)=fg_rank enddo - lprint=.false. + lprint=energy_dec if (lprint) &write (iout,*) 'INIT_INT_TABLE nres=',nres,' nnt=',nnt,' nct=',nct n_sc_int_tot=(nct-nnt+1)*(nct-nnt)/2-nss @@ -442,6 +442,7 @@ c write (iout,*) 'jj=nct' iatsc_s=nnt iatsc_e=nct-1 #endif + if (iatsc_s.eq.0) iatsc_s=1 #ifdef MPI if (lprint) write (*,*) 'Processor',fg_rank,' CG Group',kolor, & ' absolute rank',myrank,' iatsc_s=',iatsc_s,' iatsc_e=',iatsc_e @@ -574,6 +575,7 @@ cd write (iout,*) 'i.gt.nct-iscp' endif enddo ! i #endif + if (iatscp_s.eq.0) iatscp_s=1 if (lprint) then write (iout,'(a)') 'SC-p interaction array:' do i=iatscp_s,iatscp_e