X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Finitialize_p.F;h=446cad5805f93971e5571c576fcc863e50b36b3e;hb=3bbe70e61b849f1590734ab7792fa88d495916db;hp=570600ad936e7c029ff7cc1acfc43b0e769adffb;hpb=dc8aad4b659fef3940a18037dc98775344242ce3;p=unres.git diff --git a/source/unres/src_MD-M/initialize_p.F b/source/unres/src_MD-M/initialize_p.F index 570600a..446cad5 100644 --- a/source/unres/src_MD-M/initialize_p.F +++ b/source/unres/src_MD-M/initialize_p.F @@ -881,6 +881,7 @@ c call flush(iout) c write (iout,*) "Gather itask_cont_to ended" c call flush(iout) if (fg_rank.eq.king) then + if (me.eq.0 .or. .not. out1file) then write (iout,*)"Contact receive task map (proc, #tasks, tasks)" do i=0,nfgtasks-1 write (iout,'(20i4)') i,ntask_cont_from_all(i), @@ -895,6 +896,7 @@ c call flush(iout) enddo write (iout,*) call flush(iout) + endif C Check if every send will have a matching receive ncheck_to=0 ncheck_from=0 @@ -902,7 +904,8 @@ C Check if every send will have a matching receive ncheck_to=ncheck_to+ntask_cont_to_all(i) ncheck_from=ncheck_from+ntask_cont_from_all(i) enddo - write (iout,*) "Control sums",ncheck_from,ncheck_to + if (me.eq.0 .or. .not. out1file) + & write (iout,*) "Control sums",ncheck_from,ncheck_to if (ncheck_from.ne.ncheck_to) then write (iout,*) "Error: #receive differs from #send." write (iout,*) "Terminating program...!" @@ -1503,7 +1506,7 @@ cd & " lim_dih",lim_dih link_start_homo=1 link_end_homo=lim_odl idihconstr_start_homo=nnt+3 - idihconstr_end_homo=lim_dih+3 + idihconstr_end_homo=lim_dih+nnt-1+3 write (iout,*) & ' lim_odl',lim_odl,' link_start=',link_start_homo, & ' link_end',link_end_homo,' lim_dih',lim_dih,