X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fminimize_p.F;h=ef24c0c7735950078db8ab610443573411d54e71;hb=7d64cc3ff0edffb6aa37e309e4375f58bd5875a2;hp=06c7a7366ff90350b84f3948668b036b094ff1d7;hpb=862af3cfd0ee00d51a4f901d8141b05ba17a822d;p=unres.git

diff --git a/source/unres/src_MD-M/minimize_p.F b/source/unres/src_MD-M/minimize_p.F
index 06c7a73..ef24c0c 100644
--- a/source/unres/src_MD-M/minimize_p.F
+++ b/source/unres/src_MD-M/minimize_p.F
@@ -141,11 +141,13 @@ C Workers wait for variables and NF, and NFL from the boss
       do while (iorder.ge.0)
 c      write (*,*) 'Processor',fg_rank,' CG group',kolor,
 c     & ' receives order from Master'
+#ifdef MPI
         time00=MPI_Wtime()
         call MPI_Bcast(iorder,1,MPI_INTEGER,king,FG_COMM,IERR)
         time_Bcast=time_Bcast+MPI_Wtime()-time00
         if (icall.gt.4 .and. iorder.ge.0) 
      &   time_order(iorder)=time_order(iorder)+MPI_Wtime()-time00
+#endif
        icall=icall+1
 c      write (*,*) 
 c     & 'Processor',fg_rank,' completed receive MPI_BCAST order',iorder
@@ -261,7 +263,7 @@ c     endif
 cd      print *,'func',nf,nfl,icg
       call var_to_geom(n,x)
       call zerograd
-      call chainbuild
+      call chainbuild_extconf
 cd    write (iout,*) 'ETOTAL called from FUNC'
       call etotal(energia(0))
       call sum_gradient
@@ -295,7 +297,7 @@ c     endif
       icg=mod(nf,2)+1
       call var_to_geom_restr(n,x)
       call zerograd
-      call chainbuild
+      call chainbuild_extconf
 cd    write (iout,*) 'ETOTAL called from FUNC'
       call etotal(energia(0))
       call sum_gradient