X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Finitialize_p.F;h=719ea653dba75096d076fa4b0b85ecbd8b9768e6;hb=3a74889c3f6514588d40ec326a78f33b3663f5be;hp=18451d6e427292a6d3af6d681bf469c2c621bd8d;hpb=b4054889e690bb9994dc79deb014e5acd8611d76;p=unres.git diff --git a/source/unres/src_MD/initialize_p.F b/source/unres/src_MD/initialize_p.F index 18451d6..719ea65 100644 --- a/source/unres/src_MD/initialize_p.F +++ b/source/unres/src_MD/initialize_p.F @@ -316,7 +316,7 @@ 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 @@ -415,6 +415,7 @@ 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 @@ -547,6 +548,7 @@ 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