+c broadcast iset to slaves and reduce energy
+ if (nfgtasks.gt.1) then
+ call MPI_Bcast(12,1,MPI_INTEGER,king,FG_COMM,IERROR)
+ call MPI_Bcast(iset,1,MPI_INTEGER,king,FG_COMM,IERROR)
+ call e_modeller(e_tmp)
+c write(iout,*) "iset+1 before reduce",e_tmp
+ call MPI_Barrier(FG_COMM,IERR)
+ call MPI_Reduce(e_tmp,potEcomp(n_ene+3),1,
+ & MPI_DOUBLE_PRECISION,MPI_SUM,king,FG_COMM,IERR)
+ else
+ call e_modeller(potEcomp(n_ene+3))
+ endif