X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Finitialize_p.F;h=26ba786ea894f2e0fcd0c1ad6b2a194ad8e46eb3;hb=refs%2Ftags%2Fv.3.2.1;hp=a9414d3dd1c5cf0d5b3af8be72cb2b55c10fcf0c;hpb=3731c6cbc0bc89fbcd46d78967bbf3c76e36e669;p=unres.git diff --git a/source/unres/src_MD-M/initialize_p.F b/source/unres/src_MD-M/initialize_p.F index a9414d3..26ba786 100644 --- a/source/unres/src_MD-M/initialize_p.F +++ b/source/unres/src_MD-M/initialize_p.F @@ -341,6 +341,7 @@ cd write (iout,*) 'ns=',ns,' nss=',nss,' ihpb,jhpb', cd & (ihpb(i),jhpb(i),i=1,nss) do i=nnt,nct-1 scheck=.false. + if (dyn_ss) goto 10 do ii=1,nss if (ihpb(ii).eq.i+nres) then scheck=.true. @@ -1109,14 +1110,15 @@ c--------------------------------------------------------------------------- include "COMMON.INTERACT" include "COMMON.SETUP" include "COMMON.IOUNITS" - integer ii,jj,itask(4),ntask_cont_to,itask_cont_to(0:max_fg_procs-1) + integer ii,jj,itask(4),ntask_cont_to, + &itask_cont_to(0:max_fg_procs-1) logical flag integer iturn3_start_all,iturn3_end_all,iturn4_start_all, & iturn4_end_all,iatel_s_all,iatel_e_all,ielstart_all,ielend_all common /przechowalnia/ iturn3_start_all(0:max_fg_procs), & iturn3_end_all(0:max_fg_procs),iturn4_start_all(0:max_fg_procs), & iturn4_end_all(0:max_fg_procs),iatel_s_all(0:max_fg_procs), - & iatel_e_all(0:max_fg_procs),ielstart_all(maxres,0:max_fg_procs-1), + &iatel_e_all(0:max_fg_procs),ielstart_all(maxres,0:max_fg_procs-1), & ielend_all(maxres,0:max_fg_procs-1) integer iproc,isent,k,l c Determines whether to send interaction ii,jj to other processors; a given