my_ele_inds_vdw_nucl,my_ele_inde_vdw_nucl,ind_eleint_vdw_nucl,&
ind_eleint_vdw_old_nucl,nscp_int_tot_nucl,my_scp_inds_nucl,&
my_scp_inde_nucl,ind_scpint_nucl,ind_scpint_old_nucl
my_ele_inds_vdw_nucl,my_ele_inde_vdw_nucl,ind_eleint_vdw_nucl,&
ind_eleint_vdw_old_nucl,nscp_int_tot_nucl,my_scp_inds_nucl,&
my_scp_inde_nucl,ind_scpint_nucl,ind_scpint_old_nucl
!el allocate(itask_cont_from(0:nfgtasks-1)) !(0:max_fg_procs-1)
!el allocate(itask_cont_to(0:nfgtasks-1)) !(0:max_fg_procs-1)
!el allocate(itask_cont_from(0:nfgtasks-1)) !(0:max_fg_procs-1)
!el allocate(itask_cont_to(0:nfgtasks-1)) !(0:max_fg_procs-1)
ijunk,ielstart_nucl(i),ielend_nucl(i),*113)
enddo ! i
113 continue
ijunk,ielstart_nucl(i),ielend_nucl(i),*113)
enddo ! i
113 continue
nele_int_tot_vdw=(npept-2)*(npept-2+1)/2
! write (iout,*) "nele_int_tot_vdw",nele_int_tot_vdw
nele_int_tot_vdw=(npept-2)*(npept-2+1)/2
! write (iout,*) "nele_int_tot_vdw",nele_int_tot_vdw
nele_int_tot_vdw_nucl=(npept_nucl-2)*(npept_nucl-2+1)/2
! write (iout,*) "nele_int_tot_vdw",nele_int_tot_vdw
call int_bounds(nele_int_tot_vdw_nucl,my_ele_inds_vdw_nucl,&
nele_int_tot_vdw_nucl=(npept_nucl-2)*(npept_nucl-2+1)/2
! write (iout,*) "nele_int_tot_vdw",nele_int_tot_vdw
call int_bounds(nele_int_tot_vdw_nucl,my_ele_inds_vdw_nucl,&
! write (iout,*) i," ielstart_vdw",ielstart_vdw(i),
! & " ielend_vdw",ielend_vdw(i)
enddo ! i
! write (iout,*) i," ielstart_vdw",ielstart_vdw(i),
! & " ielend_vdw",ielend_vdw(i)
enddo ! i
enddo ! i
114 continue
print *, "after inloop3",iatscp_s_nucl,iatscp_e_nucl
enddo ! i
114 continue
print *, "after inloop3",iatscp_s_nucl,iatscp_e_nucl
call int_bounds(nres_molec(1)-2,ithet_start,ithet_end)
ithet_start=ithet_start+2
ithet_end=ithet_end+2
call int_bounds(nres_molec(1)-2,ithet_start,ithet_end)
ithet_start=ithet_start+2
ithet_end=ithet_end+2