X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fcontrol.F90;h=06dfe8c87c77b30407b11c30495f91a1fe57fd2a;hb=bc23440fbe68672d430f71f22f46b11265f003db;hp=1952c9a2714dfde2bd96d58d56a57e5fe339d333;hpb=94d31d7bcffc5412d9a88a0aef46b68349b60cf3;p=unres4.git

diff --git a/source/unres/control.F90 b/source/unres/control.F90
index 1952c9a..06dfe8c 100644
--- a/source/unres/control.F90
+++ b/source/unres/control.F90
@@ -565,6 +565,7 @@
       iatsc_s=0
       iatsc_e=0
 #endif
+        if(.not.allocated(ielstart_all)) then
 !el       common /przechowalnia/
       allocate(iturn3_start_all(0:nfgtasks))
       allocate(iturn3_end_all(0:nfgtasks))
@@ -580,6 +581,7 @@
       allocate(itask_cont_from_all(0:nfgtasks-1,0:nfgtasks-1))
       allocate(itask_cont_to_all(0:nfgtasks-1,0:nfgtasks-1))
 !el----------
+      endif
 !      lprint=.false.
         print *,"NCT",nct_molec(1),nct
       do i=1,nres !el	!maxres
@@ -2404,5 +2406,48 @@
       end subroutine print_detailed_timing
 #endif
 !-----------------------------------------------------------------------------
+      subroutine homology_partition
+      implicit none
+!      include 'DIMENSIONS'
+!#ifdef MPI
+!      include 'mpif.h'
+!#endif
+!      include 'COMMON.SBRIDGE'
+!      include 'COMMON.IOUNITS'
+!      include 'COMMON.SETUP'
+!      include 'COMMON.CONTROL'
+!      include 'COMMON.INTERACT'
+!      include 'COMMON.HOMOLOGY'
+!d      write(iout,*)"homology_partition: lim_odl=",lim_odl,
+!d     &   " lim_dih",lim_dih
+#ifdef MPI
+      if (me.eq.king .or. .not. out1file) write (iout,*) "MPI"
+      call int_bounds(lim_odl,link_start_homo,link_end_homo)
+      call int_bounds(lim_dih,idihconstr_start_homo, &
+       idihconstr_end_homo)
+      idihconstr_start_homo=idihconstr_start_homo+nnt-1+3
+      idihconstr_end_homo=idihconstr_end_homo+nnt-1+3
+      if (me.eq.king .or. .not. out1file)&
+       write (iout,*) 'Processor',fg_rank,' CG group',kolor,&
+       ' absolute rank',MyRank,&
+       ' lim_odl',lim_odl,' link_start=',link_start_homo,&
+       ' link_end',link_end_homo,' lim_dih',lim_dih,&
+       ' idihconstr_start_homo',idihconstr_start_homo,&
+       ' idihconstr_end_homo',idihconstr_end_homo
+#else
+      write (iout,*) "Not MPI"
+      link_start_homo=1
+      link_end_homo=lim_odl
+      idihconstr_start_homo=nnt+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,&
+       ' idihconstr_start_homo',idihconstr_start_homo,&
+       ' idihconstr_end_homo',idihconstr_end_homo
+#endif
+      return
+      end subroutine homology_partition
+
 !-----------------------------------------------------------------------------
       end module control