make -C utilities echo make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: `echo' is up to date. make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make -C utilities ftc make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: `ftc' is up to date. make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make -C utilities molpro make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' molpro.c: compiling ... done linking molpro make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make -C utilities ftconv.exe make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: `ftconv.exe' is up to date. make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make -C utilities makedepend make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: `makedepend' is up to date. make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make -C utilities patcher make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: `patcher' is up to date. make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make -C utilities sortpatchlist make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: `sortpatchlist' is up to date. make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/src' Preprocessing include files gzip -d licence.o make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/global' Rebuilding src/global/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/global' configuration_symbols.f90: preprocessing ... compiling ... done global_module_dummy.f90: preprocessing ... compiling ... done xmloutput.f90: preprocessing ... compiling ... done xml.f90: preprocessing ... compiling ... done result.f90: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/global' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/global' make molpro.o make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src' molpro.f: preprocessing ... compiling ... done make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/Molcas' Rebuilding src/Molcas/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/Molcas' abend.f: preprocessing ... compiling ... done absadd.f: preprocessing ... compiling ... done add_info.f: preprocessing ... compiling ... done allocate_iwork.f: preprocessing ... compiling ... done allocate_work.f: preprocessing ... compiling ... done ampmem.f: preprocessing ... compiling ... done ampr.f: preprocessing ... compiling ... done ang2.f: preprocessing ... compiling ... done angles.f: preprocessing ... compiling ... done arcos.f: preprocessing ... compiling ... done arsin.f: preprocessing ... compiling ... done ass1a.f: preprocessing ... compiling ... done ass1b.f: preprocessing ... compiling ... done ass1.f: preprocessing ... compiling ... done ass2a.f: preprocessing ... compiling ... done ass2b.f: preprocessing ... compiling ... done ass2.f: preprocessing ... compiling ... done ass3a.f: preprocessing ... compiling ... done ass3b.f: preprocessing ... compiling ... done ass3.f: preprocessing ... compiling ... done assemble_dTdmu.f: preprocessing ... compiling ... done assemble_ppgrd.f: preprocessing ... compiling ... done assmbl.f: preprocessing ... compiling ... done atmlst.f: preprocessing ... compiling ... done auxil.f: preprocessing ... compiling ... done banner.f: preprocessing ... compiling ... done bcheck.f: preprocessing ... compiling ... done bend.f: preprocessing ... compiling ... done bfgs_sl.f: preprocessing ... compiling ... done binom.f: preprocessing ... compiling ... done box.f: preprocessing ... compiling ... done bpupd.f: preprocessing ... compiling ... done bput.f: preprocessing ... compiling ... done btilde.f: preprocessing ... compiling ... done c1diis.f: preprocessing ... compiling ... done c2diis.f: preprocessing ... compiling ... done carsph.f: preprocessing ... compiling ... done cbput.f: preprocessing ... compiling ... done chaalp.f: preprocessing ... compiling ... done change.f: preprocessing ... compiling ... done checkmem_ints.f: preprocessing ... compiling ... done chk4nan.f: preprocessing ... compiling ... done chklbl.f: preprocessing ... compiling ... done chtab.f: preprocessing ... compiling ... done cllct2.f: preprocessing ... compiling ... done cllct.f: preprocessing ... compiling ... done closep.f: preprocessing ... compiling ... done cmbn2dc.f: preprocessing ... compiling ... done cmbnac.f: preprocessing ... compiling ... done cmbncb.f: preprocessing ... compiling ... done cmbnke.f: preprocessing ... compiling ... done cmbnker.f: preprocessing ... compiling ... done cmbnm2.f: preprocessing ... compiling ... done cmbnmp.f: preprocessing ... compiling ... done cmbnmpr.f: preprocessing ... compiling ... done cmbnmv.f: preprocessing ... compiling ... done cmbns1.f: preprocessing ... compiling ... done cmbns1_mck.f: preprocessing ... compiling ... done cmbns2a.f: preprocessing ... compiling ... done cmbns2b.f: preprocessing ... compiling ... done cmbnt1.f: preprocessing ... compiling ... done cmbnt1_mck.f: preprocessing ... compiling ... done cmbnve.f: preprocessing ... compiling ... done cmpcts.f: preprocessing ... compiling ... done cnthlf.f: preprocessing ... compiling ... done cnthlf_mck.f: preprocessing ... compiling ... done cntrct.f: preprocessing ... compiling ... done cntrct_mck.f: preprocessing ... compiling ... done cofmss.f: preprocessing ... compiling ... done conmax.f: preprocessing ... compiling ... done connect_fragments.f: preprocessing ... compiling ... done con_opt.f: preprocessing ... compiling ... done convrg.f: preprocessing ... compiling ... done cortab.f: preprocessing ... compiling ... done cosys.f: preprocessing ... compiling ... done covrad.f: preprocessing ... compiling ... done covradt.f: preprocessing ... compiling ... done cow.f: preprocessing ... compiling ... done cp_spcint.f: preprocessing ... compiling ... done crsph1.f: preprocessing ... compiling ... done crsph2.f: preprocessing ... compiling ... done crsph_mck.f: preprocessing ... compiling ... done crtcmp.f: preprocessing ... compiling ... done d1mach.f: preprocessing ... compiling ... done damp.f: preprocessing ... compiling ... done dbcopy.f: preprocessing ... compiling ... done d_bend.f: preprocessing ... compiling ... done d_bond.f: preprocessing ... compiling ... done d_cart.f: preprocessing ... compiling ... done dcopiv.f: preprocessing ... compiling ... done dcr.f: preprocessing ... compiling ... done decode.f: preprocessing ... compiling ... done dede_mck.f: preprocessing ... compiling ... done defint2.f: preprocessing ... compiling ... done defint.f: preprocessing ... compiling ... done dens_info.f: preprocessing ... compiling ... done dfp.f: preprocessing ... compiling ... done dgemm_tri.f: preprocessing ... compiling ... done diag_driver.f: preprocessing ... compiling ... done diagmtrx.f: preprocessing ... compiling ... done dihedr.f: preprocessing ... compiling ... done dissoc.f: preprocessing ... compiling ... done distg1.f: preprocessing ... compiling ... done distg1x.f: preprocessing ... compiling ... done distg2x.f: preprocessing ... compiling ... done dkh_driver.f: preprocessing ... compiling ... done dkhinf.f: preprocessing ... compiling ... done dmsmem.f: preprocessing ... compiling ... done dqag.f: preprocessing ... compiling ... done drvuph.f: preprocessing ... compiling ... done dstncs.f: preprocessing ... compiling ... done dTdmu_mem.f: preprocessing ... compiling ... done d_trsn.f: preprocessing ... compiling ... done dzero.f: preprocessing ... compiling ... done ecp_shells.f: preprocessing ... compiling ... done efmem.f: preprocessing ... compiling ... done efmmp.f: preprocessing ... compiling ... done egp.f: preprocessing ... compiling ... done elred.f: preprocessing ... compiling ... done epemem.f: preprocessing ... compiling ... done eq.f: preprocessing ... compiling ... done errtra.f: preprocessing ... compiling ... done esti.f: preprocessing ... compiling ... done eu.f: preprocessing ... compiling ... done eval_ints.f: preprocessing ... compiling ... done exp_1.f: preprocessing ... compiling ... done exp_2.f: preprocessing ... compiling ... done extension.f: preprocessing ... compiling ... done fake.f: preprocessing ... compiling ... done find_bonds.f: preprocessing ... compiling ... done find_min.f: preprocessing ... compiling ... done fixhess.f: preprocessing ... compiling ... done fixic.f: preprocessing ... compiling ... done force.f: preprocessing ... compiling ... done fradf.f: preprocessing ... compiling ... done free_gtlist.f: preprocessing ... compiling ... done free_iwork.f: preprocessing ... compiling ... done free_pplist.f: preprocessing ... compiling ... done free_rctfld.f: preprocessing ... compiling ... done free_tlist.f: preprocessing ... compiling ... done free_work.f: preprocessing ... compiling ... done freeze_default.f: preprocessing ... compiling ... done fupd.f: preprocessing ... compiling ... done gamma2.f: preprocessing ... compiling ... done gammaf.f: preprocessing ... compiling ... done gammat.f: preprocessing ... compiling ... done gauss.f: preprocessing ... compiling ... done gencoo.f: preprocessing ... compiling ... done geninv.f: preprocessing ... compiling ... done gen_isd4.f: preprocessing ... compiling ... done get_curvil.f: preprocessing ... compiling ... done get_exfac.f: preprocessing ... compiling ... done getlsdcr.f: preprocessing ... compiling ... done get_molecule.f: preprocessing ... compiling ... done gr_darray.f: preprocessing ... compiling ... done hcopy.f: preprocessing ... compiling ... done her01.f: preprocessing ... compiling ... done her11.f: preprocessing ... compiling ... done her22.f: preprocessing ... compiling ... done her33.f: preprocessing ... compiling ... done her44.f: preprocessing ... compiling ... done her55.f: preprocessing ... compiling ... done her66.f: preprocessing ... compiling ... done her77.f: preprocessing ... compiling ... done her88.f: preprocessing ... compiling ... done her99.f: preprocessing ... compiling ... done hermit.f: preprocessing ... compiling ... done highfm.f: preprocessing ... compiling ... done hrr1.f: preprocessing ... compiling ... done hrr2da.f: preprocessing ... compiling ... done hrr2da_mck.f: preprocessing ... compiling ... done hrr2db.f: preprocessing ... compiling ... done hrr2db_mck.f: preprocessing ... compiling ... done hrrctl.f: preprocessing ... compiling ... done hrrctl_mck.f: preprocessing ... compiling ... done hrr.f: preprocessing ... compiling ... done hsort.f: preprocessing ... compiling ... done hupd.f: preprocessing ... compiling ... done icfrst.f: preprocessing ... compiling ... done ichatm.f: preprocessing ... compiling ... done iclast.f: preprocessing ... compiling ... done icntrshl.f: preprocessing ... compiling ... done ideg.f: preprocessing ... compiling ... done iget.f: preprocessing ... compiling ... done ijkl_inc.f: preprocessing ... compiling ... done ijkl_incq.f: preprocessing ... compiling ... done inew.f: preprocessing ... compiling ... done inibuf.f: preprocessing ... compiling ... done inisewm.f: preprocessing ... compiling ... done init_gtlist.f: preprocessing ... compiling ... done initim.f: preprocessing ... compiling ... done init_pplist.f: preprocessing ... compiling ... done init_tlist.f: preprocessing ... compiling ... done inputil.f: preprocessing ... compiling ... done inquire.f: preprocessing ... compiling ... done inter.f: preprocessing ... compiling ... done intfcm.f: preprocessing ... compiling ... done intoca.f: preprocessing ... compiling ... done int_parm_g.f: preprocessing ... compiling ... done ipntso.f: preprocessing ... compiling ... done ip_of_iwork.f: preprocessing ... compiling ... done ip_of_work.f: preprocessing ... compiling ... done iswap.f: preprocessing ... compiling ... done itabrow.f: preprocessing ... compiling ... done iu.f: preprocessing ... compiling ... done iur.f: preprocessing ... compiling ... done ivcprt.f: preprocessing ... compiling ... done jacob.f: preprocessing ... compiling ... done jacord.f: preprocessing ... compiling ... done king.f: preprocessing ... compiling ... done knemem.f: preprocessing ... compiling ... done knemem_mck.f: preprocessing ... compiling ... done knemmg.f: preprocessing ... compiling ... done knemmh.f: preprocessing ... compiling ... done kntc.f: preprocessing ... compiling ... done langevin_on.f: preprocessing ... compiling ... done lbend1.f: preprocessing ... compiling ... done lcopy.f: preprocessing ... compiling ... done leftad.f: preprocessing ... compiling ... done lempty.f: preprocessing ... compiling ... done list2.f: preprocessing ... compiling ... done list.f: preprocessing ... compiling ... done lmnvgn.f: preprocessing ... compiling ... done lnm.f: preprocessing ... compiling ... done lnsrch.f: preprocessing ... compiling ... done m1mem.f: preprocessing ... compiling ... done m1mm1.f: preprocessing ... compiling ... done m1mmg.f: preprocessing ... compiling ... done m2mem.f: preprocessing ... compiling ... done m2mmg.f: preprocessing ... compiling ... done machar.f: preprocessing ... compiling ... done magic_bonds.f: preprocessing ... compiling ... done memrys_g.f: preprocessing ... compiling ... done memtra.f: preprocessing ... compiling ... done mhrr.f: preprocessing ... compiling ... done minv.f: preprocessing ... compiling ... done mltlbl.f: preprocessing ... compiling ... done mltmem.f: preprocessing ... compiling ... done mltmmp.f: preprocessing ... compiling ... done modu2.f: preprocessing ... compiling ... done module_parms.f: preprocessing ... compiling ... done molcas_open_ext.f: preprocessing ... compiling ... done molcas_open.f: preprocessing ... compiling ... done molcas_order.f: preprocessing ... compiling ... done mpp.f: preprocessing ... compiling ... done msp.f: preprocessing ... compiling ... done mspinv.f: preprocessing ... compiling ... done mult_sro.f: preprocessing ... compiling ... done mve.f: preprocessing ... compiling ... done mvemem.f: preprocessing ... compiling ... done mxlbls.f: preprocessing ... compiling ... done na2mem.f: preprocessing ... compiling ... done namem.f: preprocessing ... compiling ... done namem_mck.f: preprocessing ... compiling ... done nammg.f: preprocessing ... compiling ... done nammh.f: preprocessing ... compiling ... done ncobond.f: preprocessing ... compiling ... done newcar.f: preprocessing ... compiling ... done newh.f: preprocessing ... compiling ... done newpk.f: preprocessing ... compiling ... done newq.f: preprocessing ... compiling ... done nmnumb.f: preprocessing ... compiling ... done nonsym.f: preprocessing ... compiling ... done no_routine.f: preprocessing ... compiling ... done nred2.f: preprocessing ... compiling ... done nred.f: preprocessing ... compiling ... done nrmlz.f: preprocessing ... compiling ... done nropr.f: preprocessing ... compiling ... done nucexp.f: preprocessing ... compiling ... done nu.f: preprocessing ... compiling ... done nxtwrd.f: preprocessing ... compiling ... done oammem.f: preprocessing ... compiling ... done ochrr.f: preprocessing ... compiling ... done optrms.f: preprocessing ... compiling ... done optrms_slapaf.f: preprocessing ... compiling ... done orbtype.f: preprocessing ... compiling ... done order_axis.f: preprocessing ... compiling ... done outofp.f: preprocessing ... compiling ... done output_sl.f: preprocessing ... compiling ... done ovrmem_mck.f: preprocessing ... compiling ... done ovrmmg.f: preprocessing ... compiling ... done ovrmmh.f: preprocessing ... compiling ... done parainfo.f: preprocessing ... compiling ... done pckint.f: preprocessing ... compiling ... done pckint_mck.f: preprocessing ... compiling ... done pcmmmg.f: preprocessing ... compiling ... done pcm_on.f: preprocessing ... compiling ... done pgamma.f: preprocessing ... compiling ... done picky_.f: preprocessing ... compiling ... done picky.f: preprocessing ... compiling ... done p_mem.f: preprocessing ... compiling ... done pos_qlast.f: preprocessing ... compiling ... done poti.f: preprocessing ... compiling ... done ppmem.f: preprocessing ... compiling ... done ppmmg.f: preprocessing ... compiling ... done pppp.f: preprocessing ... compiling ... done ppps.f: preprocessing ... compiling ... done ppss.f: preprocessing ... compiling ... done prepre_g.f: preprocessing ... compiling ... done prgrad.f: preprocessing ... compiling ... done printq_sl.f: preprocessing ... compiling ... done printtim.f: preprocessing ... compiling ... done psdmem.f: preprocessing ... compiling ... done pseudo1.f: preprocessing ... compiling ... done pseudo2.f: preprocessing ... compiling ... done pseudo.f: preprocessing ... compiling ... done psps.f: preprocessing ... compiling ... done psss.f: preprocessing ... compiling ... done ptrans_sa.f: preprocessing ... compiling ... done put_qlast.f: preprocessing ... compiling ... done pvmem.f: preprocessing ... compiling ... done pvpmem.f: preprocessing ... compiling ... done qnr.f: preprocessing ... compiling ... done quit.f: preprocessing ... compiling ... done rad1.f: preprocessing ... compiling ... done rad2.f: preprocessing ... compiling ... done radlc.f: preprocessing ... compiling ... done rdbsl.f: preprocessing ... compiling ... done rdmx.f: preprocessing ... compiling ... done rd_udic.f: preprocessing ... compiling ... done readab.f: preprocessing ... compiling ... done read_bin.f: preprocessing ... compiling ... done recprt.f: preprocessing ... compiling ... done relsew.f: preprocessing ... compiling ... done resortd.f: preprocessing ... compiling ... done rf_on.f: preprocessing ... compiling ... done rint.f: preprocessing ... compiling ... done rkappa_zeta.f: preprocessing ... compiling ... done rlsmem_ints.f: preprocessing ... compiling ... done rotder.f: preprocessing ... compiling ... done roth.f: preprocessing ... compiling ... done rs2dgh.f: preprocessing ... compiling ... done rs-i-rfo.f: preprocessing ... compiling ... done rs-p-rfo.f: preprocessing ... compiling ... done rs-rfo.f: preprocessing ... compiling ... done r_stab_a.f: preprocessing ... compiling ... done rsv_gtlist.f: preprocessing ... compiling ... done rys01.f: preprocessing ... compiling ... done rys11.f: preprocessing ... compiling ... done rys22.f: preprocessing ... compiling ... done rys2dg.f: preprocessing ... compiling ... done rys2dls.f: preprocessing ... compiling ... done rys33.f: preprocessing ... compiling ... done rys44.f: preprocessing ... compiling ... done rys55.f: preprocessing ... compiling ... done rys66.f: preprocessing ... compiling ... done rys77.f: preprocessing ... compiling ... done rys88.f: preprocessing ... compiling ... done rys99.f: preprocessing ... compiling ... done rysef0.f: preprocessing ... compiling ... done rysef0ls.f: preprocessing ... compiling ... done savtim.f: preprocessing ... compiling ... done screen.f: preprocessing ... compiling ... done screen_g.f: preprocessing ... compiling ... done screenls.f: preprocessing ... compiling ... done screen_mck.f: preprocessing ... compiling ... done setmem_ints.f: preprocessing ... compiling ... done setup1.f: preprocessing ... compiling ... done setupa.f: preprocessing ... compiling ... done setup_isd.f: preprocessing ... compiling ... done shfanm.f: preprocessing ... compiling ... done size_sob_g.f: preprocessing ... compiling ... done soao_g.f: preprocessing ... compiling ... done socmem.f: preprocessing ... compiling ... done sort_to_box.f: preprocessing ... compiling ... done sphcar.f: preprocessing ... compiling ... done sphcr1.f: preprocessing ... compiling ... done sphcr2.f: preprocessing ... compiling ... done sp_mlt.f: preprocessing ... compiling ... done sp_mltls.f: preprocessing ... compiling ... done sppp.f: preprocessing ... compiling ... done sspp.f: preprocessing ... compiling ... done sssp.f: preprocessing ... compiling ... done ssss.f: preprocessing ... compiling ... done statp.f: preprocessing ... compiling ... done status.f: preprocessing ... compiling ... done stblz.f: preprocessing ... compiling ... done stblzr.f: preprocessing ... compiling ... done stdfmt.f: preprocessing ... compiling ... done strnln.f: preprocessing ... compiling ... done strtch.f: preprocessing ... compiling ... done supsym.f: preprocessing ... compiling ... done swap_seward.f: preprocessing ... compiling ... done symdsp.f: preprocessing ... compiling ... done sync_data.f: preprocessing ... compiling ... done sync_th.f: preprocessing ... compiling ... done tcrtnc.f: preprocessing ... compiling ... done tcrtnc_h.f: preprocessing ... compiling ... done teri1.f: preprocessing ... compiling ... done teri.f: preprocessing ... compiling ... done teris.f: preprocessing ... compiling ... done terisq.f: preprocessing ... compiling ... done thrdo.f: preprocessing ... compiling ... done tnai1.f: preprocessing ... compiling ... done tnai.f: preprocessing ... compiling ... done translation.f: preprocessing ... compiling ... done trapab.f: preprocessing ... compiling ... done traxyz.f: preprocessing ... compiling ... done trcprt.f: preprocessing ... compiling ... done triprt.f: preprocessing ... compiling ... done trmake.f: preprocessing ... compiling ... done trpgen.f: preprocessing ... compiling ... done trsn.f: preprocessing ... compiling ... done ts_bfgs.f: preprocessing ... compiling ... done tskman.f: preprocessing ... compiling ... done tstfnc.f: preprocessing ... compiling ... done ttmul.f: preprocessing ... compiling ... done uatm_functions.f: preprocessing ... compiling ... done uget.f: preprocessing ... compiling ... done union.f: preprocessing ... compiling ... done update_H.f: preprocessing ... compiling ... done update_sl.f: preprocessing ... compiling ... done util1.f: preprocessing ... compiling ... done util1_ls.f: preprocessing ... compiling ... done util2.f: preprocessing ... compiling ... done util2_ls.f: preprocessing ... compiling ... done util4.f: preprocessing ... compiling ... done util5.f: preprocessing ... compiling ... done util6.f: preprocessing ... compiling ... done util8.f: preprocessing ... compiling ... done uu.f: preprocessing ... compiling ... done valanm.f: preprocessing ... compiling ... done veig.f: preprocessing ... compiling ... done velint.f: preprocessing ... compiling ... done vemem.f: preprocessing ... compiling ... done view.f: preprocessing ... compiling ... done vpmem.f: preprocessing ... compiling ... done welmem.f: preprocessing ... compiling ... done wlbuf.f: preprocessing ... compiling ... done wrtlbl.f: preprocessing ... compiling ... done xerror.f: preprocessing ... compiling ... done xfdmem.f: preprocessing ... compiling ... done xfdmmg.f: preprocessing ... compiling ... done xflush.f: preprocessing ... compiling ... done zxia.f: preprocessing ... compiling ... done acore.F: preprocessing ... compiling ... done alaska.F: preprocessing ... compiling ... done allok2.F: preprocessing ... compiling ... done ampint.F: preprocessing ... compiling ... done angle_list.F: preprocessing ... compiling ... done assg1.F: preprocessing ... compiling ... done assg1_mck.F: preprocessing ... compiling ... done assg2.F: preprocessing ... compiling ... done bino.F: preprocessing ... compiling ... done binte.F: preprocessing ... compiling ... done bmtrx.F: preprocessing ... compiling ... done bond_list.F: preprocessing ... compiling ... done bond_tester.F: preprocessing ... compiling ... done cff2d.F: preprocessing ... compiling ... done cff2dq.F: preprocessing ... compiling ... done cff2ds.F: preprocessing ... compiling ... done closer.F: preprocessing ... compiling ... done clr2.F: preprocessing ... compiling ... done clrbuf.F: preprocessing ... compiling ... done clssew.F: preprocessing ... compiling ... done cmbnacb1.F: preprocessing ... compiling ... done cmbnacb2.F: preprocessing ... compiling ... done cmbns2.F: preprocessing ... compiling ... done cmbnt2.F: preprocessing ... compiling ... done cnt1el.F: preprocessing ... compiling ... done conint.F: preprocessing ... compiling ... done coordshl.F: preprocessing ... compiling ... done coreb.F: preprocessing ... compiling ... done cosgrd.F: preprocessing ... compiling ... done ctldns.F: preprocessing ... compiling ... done ctrlmo.F: preprocessing ... compiling ... done curvil.F: preprocessing ... compiling ... done d1int.F: preprocessing ... compiling ... done d1mem.F: preprocessing ... compiling ... done dan.F: preprocessing ... compiling ... done darwin.F: preprocessing ... compiling ... done ddot_sp.F: preprocessing ... compiling ... done ddv.F: preprocessing ... compiling ... done dede.F: preprocessing ... compiling ... done dede_scf.F: preprocessing ... compiling ... done def_shells.F: preprocessing ... compiling ... done derctr.F: preprocessing ... compiling ... done desym1.F: preprocessing ... compiling ... done desymd.F: preprocessing ... compiling ... done desymp.F: preprocessing ... compiling ... done din.F: preprocessing ... compiling ... done distg2.F: preprocessing ... compiling ... done dkrelint.F: preprocessing ... compiling ... done dmpinf.F: preprocessing ... compiling ... done dmsint.F: preprocessing ... compiling ... done dot1el.F: preprocessing ... compiling ... done dozeta.F: preprocessing ... compiling ... done drv1el.F: preprocessing ... compiling ... done drv2el.F: preprocessing ... compiling ... done drv2el_ls.F: preprocessing ... compiling ... done drv2el_scf.F: preprocessing ... compiling ... done drvg1.F: preprocessing ... compiling ... done drvg2.F: preprocessing ... compiling ... done drvh1.F: preprocessing ... compiling ... done drvh1_mck.F: preprocessing ... compiling ... done drvh2.F: preprocessing ... compiling ... done drvk2.F: preprocessing ... compiling ... done drvk2_mck.F: preprocessing ... compiling ... done drvn0.F: preprocessing ... compiling ... done drvn1.F: preprocessing ... compiling ... done drvn1_mck.F: preprocessing ... compiling ... done drvn2.F: preprocessing ... compiling ... done drv_pot.F: preprocessing ... compiling ... done drvprop.F: preprocessing ... compiling ... done dstinf.F: preprocessing ... compiling ... done dTdmu_int.F: preprocessing ... compiling ... done eafmod.F: preprocessing ... compiling ... done efint.F: preprocessing ... compiling ... done efnuc.F: preprocessing ... compiling ... done efprm.F: preprocessing ... compiling ... done egpint.F: preprocessing ... compiling ... done egpmem.F: preprocessing ... compiling ... done epeint.F: preprocessing ... compiling ... done esoint.F: preprocessing ... compiling ... done esoint_ls.F: preprocessing ... compiling ... done eval_grads.F: preprocessing ... compiling ... done eval_ints_.F: preprocessing ... compiling ... done eval_ints_ls.F: preprocessing ... compiling ... done fastio.F: preprocessing ... compiling ... done fckacc.F: preprocessing ... compiling ... done fckacc_mck.F: preprocessing ... compiling ... done fckacc_nosym.F: preprocessing ... compiling ... done fckdst.F: preprocessing ... compiling ... done fiddle.F: preprocessing ... compiling ... done fiin.F: preprocessing ... compiling ... done fix_2nder.F: preprocessing ... compiling ... done fockmat_ls.F: preprocessing ... compiling ... done free_dede.F: preprocessing ... compiling ... done freek2.F: preprocessing ... compiling ... done funi_init.F: preprocessing ... compiling ... done gamod.F: preprocessing ... compiling ... done gen_relpointers.F: preprocessing ... compiling ... done getbs.F: preprocessing ... compiling ... done getecp.F: preprocessing ... compiling ... done getinf.F: preprocessing ... compiling ... done get_info_dynamic.F: preprocessing ... compiling ... done get_info_static.F: preprocessing ... compiling ... done hrrmtrx.F: preprocessing ... compiling ... done hrrmtrxls.F: preprocessing ... compiling ... done hsr.F: preprocessing ... compiling ... done indsft_copy.F: preprocessing ... compiling ... done indsft_cpfck.F: preprocessing ... compiling ... done indsft.F: preprocessing ... compiling ... done indsft_fock.F: preprocessing ... compiling ... done indsftls.F: preprocessing ... compiling ... done inisew.F: preprocessing ... compiling ... done init2.F: preprocessing ... compiling ... done init_slapaf.F: preprocessing ... compiling ... done inputg.F: preprocessing ... compiling ... done input_seward.F: preprocessing ... compiling ... done integral_wrout.F: preprocessing ... compiling ... done intergeo.F: preprocessing ... compiling ... done int_prep_g.F: preprocessing ... compiling ... done int_setup.F: preprocessing ... compiling ... done iprmt.F: preprocessing ... compiling ... done irrfnc.F: preprocessing ... compiling ... done isotope.F: preprocessing ... compiling ... done k2loop.F: preprocessing ... compiling ... done k2loop_mck.F: preprocessing ... compiling ... done knegrd.F: preprocessing ... compiling ... done knegrd_mck.F: preprocessing ... compiling ... done knehss.F: preprocessing ... compiling ... done kneint.F: preprocessing ... compiling ... done lsdenfill.F: preprocessing ... compiling ... done ltocore.F: preprocessing ... compiling ... done ltosph.F: preprocessing ... compiling ... done m1grd.F: preprocessing ... compiling ... done m1grd_mck.F: preprocessing ... compiling ... done m1hss.F: preprocessing ... compiling ... done m1int.F: preprocessing ... compiling ... done m1kernel.F: preprocessing ... compiling ... done m2grd.F: preprocessing ... compiling ... done m2int.F: preprocessing ... compiling ... done make_labels.F: preprocessing ... compiling ... done makemo.F: preprocessing ... compiling ... done mckinley.F: preprocessing ... compiling ... done memrg1.F: preprocessing ... compiling ... done memrg2.F: preprocessing ... compiling ... done memrys.F: preprocessing ... compiling ... done memrys_ls.F: preprocessing ... compiling ... done memso1.F: preprocessing ... compiling ... done memso2.F: preprocessing ... compiling ... done memso2_ls.F: preprocessing ... compiling ... done memso2_P.F: preprocessing ... compiling ... done mkfck.F: preprocessing ... compiling ... done mltint.F: preprocessing ... compiling ... done mltnuc.F: preprocessing ... compiling ... done mltpl.F: preprocessing ... compiling ... done mltprm.F: preprocessing ... compiling ... done moacc.F: preprocessing ... compiling ... done mveint.F: preprocessing ... compiling ... done n2tri.F: preprocessing ... compiling ... done nagrd.F: preprocessing ... compiling ... done nagrd_mck.F: preprocessing ... compiling ... done nahss.F: preprocessing ... compiling ... done naint.F: preprocessing ... compiling ... done nbfshl.F: preprocessing ... compiling ... done nmo.F: preprocessing ... compiling ... done nona2.F: preprocessing ... compiling ... done nr_shellpairs.F: preprocessing ... compiling ... done nr_shells.F: preprocessing ... compiling ... done nsoint.F: preprocessing ... compiling ... done nucind.F: preprocessing ... compiling ... done oamint.F: preprocessing ... compiling ... done oneel.F: preprocessing ... compiling ... done oneel_g.F: preprocessing ... compiling ... done oneel_ls.F: preprocessing ... compiling ... done outofplane_list.F: preprocessing ... compiling ... done ovrgrd.F: preprocessing ... compiling ... done ovrgrd_mck.F: preprocessing ... compiling ... done ovrhss.F: preprocessing ... compiling ... done pckmo2.F: preprocessing ... compiling ... done pcmgrd.F: preprocessing ... compiling ... done pget0.F: preprocessing ... compiling ... done pget1_aces.F: preprocessing ... compiling ... done pget1.F: preprocessing ... compiling ... done pget2_aces.F: preprocessing ... compiling ... done pget2.F: preprocessing ... compiling ... done pget3.F: preprocessing ... compiling ... done pget4.F: preprocessing ... compiling ... done pickmo.F: preprocessing ... compiling ... done p_int.F: preprocessing ... compiling ... done plf_copy.F: preprocessing ... compiling ... done plf_cpfck.F: preprocessing ... compiling ... done plf.F: preprocessing ... compiling ... done plf_fock.F: preprocessing ... compiling ... done potint.F: preprocessing ... compiling ... done ppgrd.F: preprocessing ... compiling ... done ppint.F: preprocessing ... compiling ... done prbas.F: preprocessing ... compiling ... done prepp.F: preprocessing ... compiling ... done prepro.F: preprocessing ... compiling ... done priwel.F: preprocessing ... compiling ... done prjgrd.F: preprocessing ... compiling ... done prjgrd_mck.F: preprocessing ... compiling ... done prjhss.F: preprocessing ... compiling ... done prjint.F: preprocessing ... compiling ... done prjmem.F: preprocessing ... compiling ... done prjmm1.F: preprocessing ... compiling ... done prjmmg.F: preprocessing ... compiling ... done prmtrx.F: preprocessing ... compiling ... done projsym.F: preprocessing ... compiling ... done psdint.F: preprocessing ... compiling ... done psoao0.F: preprocessing ... compiling ... done psoao0_h.F: preprocessing ... compiling ... done psoao0ls.F: preprocessing ... compiling ... done psoao1.F: preprocessing ... compiling ... done psoao2.F: preprocessing ... compiling ... done ptrans.F: preprocessing ... compiling ... done pvint.F: preprocessing ... compiling ... done pvpint.F: preprocessing ... compiling ... done qrint.F: preprocessing ... compiling ... done rdctl_seward.F: preprocessing ... compiling ... done rdctl_sl.F: preprocessing ... compiling ... done repmat.F: preprocessing ... compiling ... done rf_coord.F: preprocessing ... compiling ... done rigrot.F: preprocessing ... compiling ... done rlxctl.F: preprocessing ... compiling ... done rmass.F: preprocessing ... compiling ... done rowel.F: preprocessing ... compiling ... done rrint.F: preprocessing ... compiling ... done rs2dmm.F: preprocessing ... compiling ... done rtocore.F: preprocessing ... compiling ... done rtosph.F: preprocessing ... compiling ... done rtswgh.F: preprocessing ... compiling ... done rys2d.F: preprocessing ... compiling ... done rysef.F: preprocessing ... compiling ... done rysefls.F: preprocessing ... compiling ... done rys.F: preprocessing ... compiling ... done rysg1.F: preprocessing ... compiling ... done rysg2.F: preprocessing ... compiling ... done rysls.F: preprocessing ... compiling ... done schint.F: preprocessing ... compiling ... done schint_mck.F: preprocessing ... compiling ... done set_basis_mode.F: preprocessing ... compiling ... done set_binom.F: preprocessing ... compiling ... done set_canind.F: preprocessing ... compiling ... done sether.F: preprocessing ... compiling ... done set_thrint.F: preprocessing ... compiling ... done setup_ints.F: preprocessing ... compiling ... done setupr.F: preprocessing ... compiling ... done setup_rw.F: preprocessing ... compiling ... done seward.F: preprocessing ... compiling ... done seward_init.F: preprocessing ... compiling ... done seward_ls.F: preprocessing ... compiling ... done shell_mxdens.F: preprocessing ... compiling ... done shell_mxschwz.F: preprocessing ... compiling ... done slapaf.F: preprocessing ... compiling ... done smadna.F: preprocessing ... compiling ... done socint.F: preprocessing ... compiling ... done socint_ls.F: preprocessing ... compiling ... done soctl.F: preprocessing ... compiling ... done sofsh1.F: preprocessing ... compiling ... done sogthr.F: preprocessing ... compiling ... done sort_mck.F: preprocessing ... compiling ... done sosctt.F: preprocessing ... compiling ... done sos.F: preprocessing ... compiling ... done sphere.F: preprocessing ... compiling ... done sphint.F: preprocessing ... compiling ... done srogrd.F: preprocessing ... compiling ... done srogrd_mck.F: preprocessing ... compiling ... done srohss.F: preprocessing ... compiling ... done sroint.F: preprocessing ... compiling ... done sromem.F: preprocessing ... compiling ... done sromm1.F: preprocessing ... compiling ... done srommg.F: preprocessing ... compiling ... done symad1.F: preprocessing ... compiling ... done symado.F: preprocessing ... compiling ... done symado_mck.F: preprocessing ... compiling ... done symadp.F: preprocessing ... compiling ... done symadp_ls.F: preprocessing ... compiling ... done symfock_ls.F: preprocessing ... compiling ... done term_ints.F: preprocessing ... compiling ... done tetin.F: preprocessing ... compiling ... done timing.F: preprocessing ... compiling ... done tnsctl.F: preprocessing ... compiling ... done tnsctlls.F: preprocessing ... compiling ... done torsion_list.F: preprocessing ... compiling ... done transverse.F: preprocessing ... compiling ... done twodns.F: preprocessing ... compiling ... done twoel.F: preprocessing ... compiling ... done twoel_g.F: preprocessing ... compiling ... done twoel_ls.F: preprocessing ... compiling ... done twoel_mck.F: preprocessing ... compiling ... done vcff2d.F: preprocessing ... compiling ... done veint.F: preprocessing ... compiling ... done vpint.F: preprocessing ... compiling ... done vrys2d.F: preprocessing ... compiling ... done vrys2dm.F: preprocessing ... compiling ... done vrysrw.F: preprocessing ... compiling ... done welint.F: preprocessing ... compiling ... done wrinp_sl.F: preprocessing ... compiling ... done xcff2d.F: preprocessing ... compiling ... done xfdgrd.F: preprocessing ... compiling ... done xfdint.F: preprocessing ... compiling ... done xrys2d.F: preprocessing ... compiling ... done ylmnor.F: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/Molcas' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/Molcas' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/util' Rebuilding src/util/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/util' aoint.f: preprocessing ... compiling ... done aoint_matrix.f: preprocessing ... compiling ... done atdens.f: preprocessing ... compiling ... done bascop.f: preprocessing ... compiling ... done basis_check.f: preprocessing ... compiling ... done bild.f: preprocessing ... compiling ... done blastest.f: preprocessing ... compiling ... done blk1.f: preprocessing ... compiling ... done cfit_init.f: preprocessing ... compiling ... done checkinp.f: preprocessing ... compiling ... done check_modules.f: preprocessing ... compiling ... done chrono.f: preprocessing ... compiling ... done cidft_init.f: preprocessing ... compiling ... done compress.f: preprocessing ... compiling ... done connectivity.f: preprocessing ... compiling ... done df_transform.f: preprocessing ... compiling ... done diabci.f: preprocessing ... compiling ... done direct_init.f: preprocessing ... compiling ... done displace.f: preprocessing ... compiling ... done dmscf_init.f: preprocessing ... compiling ... done driver.f: preprocessing ... compiling ... done drv_scf.f: preprocessing ... compiling ... done dummy.f: preprocessing ... compiling ... done eaf_molpro.f: preprocessing ... compiling ... done error.f: preprocessing ... compiling ... done explicit_init.f: preprocessing ... compiling ... done export.f: preprocessing ... compiling ... done extrapolate.f: preprocessing ... compiling ... done field.f: preprocessing ... compiling ... done filass.f: preprocessing ... compiling ... done fileinfo.f: preprocessing ... compiling ... done fork.f: preprocessing ... compiling ... done gatest.f: preprocessing ... compiling ... done geom.f: preprocessing ... compiling ... done getinp.f: preprocessing ... compiling ... done getmem.f: preprocessing ... compiling ... done getvar.f: preprocessing ... compiling ... done gparam_init.f: preprocessing ... compiling ... done gprint_init.f: preprocessing ... compiling ... done gthresh_init.f: preprocessing ... compiling ... done increments.f: preprocessing ... compiling ... done integral_interface.f: preprocessing ... compiling ... done intest.f: preprocessing ... compiling ... done iow.f: preprocessing ... compiling ... done lattice_inp.f: preprocessing ... compiling ... done local_init.f: preprocessing ... compiling ... done lsqfit.f: preprocessing ... compiling ... done maketab.f: preprocessing ... compiling ... done merge.f: preprocessing ... compiling ... done modules.f: preprocessing ... compiling ... done molpro_aux.f: preprocessing ... compiling ... done molpro_help.f: preprocessing ... compiling ... done molpro_interface.f: preprocessing ... compiling ... done molpro_mem.f: preprocessing ... compiling ... done mpp_init.f: preprocessing ... compiling ... done mpptim.f: preprocessing ... compiling ... done mrcc_intface.f: preprocessing ... compiling ... done ovl2bas.f: preprocessing ... compiling ... done parse.f: preprocessing ... compiling ... done parse_registry.f: preprocessing ... compiling ... done pop.f: preprocessing ... compiling ... done prepin.f: preprocessing ... compiling ... done readcommands.f: preprocessing ... compiling ... done readdump.f: preprocessing ... compiling ... done readop.f: preprocessing ... compiling ... done read_registered_defaults.f: preprocessing ... compiling ... done read_registered_variables.f: preprocessing ... compiling ... done rebas.f: preprocessing ... compiling ... done registry.f: preprocessing ... compiling ... done restart.f: preprocessing ... compiling ... done rsjc.f: preprocessing ... compiling ... done scf_init.f: preprocessing ... compiling ... done sortva.f: preprocessing ... compiling ... done string_utils.f: preprocessing ... compiling ... done supmutil.f: preprocessing ... compiling ... done syscon.f: preprocessing ... compiling ... done task.f: preprocessing ... compiling ... done transform.f: preprocessing ... compiling ... done user.f: preprocessing ... compiling ... done userprog.f: preprocessing ... compiling ... done util.f: preprocessing ... compiling ... done utilunix.f: preprocessing ... compiling ... done wiom.f: preprocessing ... compiling ... done wiop.f: preprocessing ... compiling ... done wiop_init.f: preprocessing ... compiling ... done writedump.f: preprocessing ... compiling ... done zmat_init.f: preprocessing ... compiling ... done cml.f90: preprocessing ... compiling ... done zmatrix.f: preprocessing ... compiling ... done iom.F: preprocessing ... compiling ... done bit.c: compiling ... done compression.c: compiling ... done crc.c: compiling ... done dderf.c: compiling ... done expiry_warn.c: compiling ... done fcmlc.c: compiling ... done gecos.c: compiling ... done glob.c: compiling ... done gmainv.c: compiling ... done iow_direct.c: compiling ... done libmol.c: compiling ... done loc.c: compiling ... done mctype.c: compiling ... done openmp.c: compiling ... done rdabsf.c: compiling ... done sysinfo.c: compiling ... done system.c: compiling ... done timing_molpro.c: compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/util' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/util' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/argos' Rebuilding src/argos/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/argos' argos.f: preprocessing ... compiling ... done argosgr.f: preprocessing ... compiling ... done arinp.f: preprocessing ... compiling ... done arinpgr.f: preprocessing ... compiling ... done arone1.f: preprocessing ... compiling ... done arone.f: preprocessing ... compiling ... done aronegr.f: preprocessing ... compiling ... done arpseu.f: preprocessing ... compiling ... done arpseugr.f: preprocessing ... compiling ... done arroot.f: preprocessing ... compiling ... done artwo1.f: preprocessing ... compiling ... done artwo2.f: preprocessing ... compiling ... done artwo3.f: preprocessing ... compiling ... done binput.f: preprocessing ... compiling ... done initra.f: preprocessing ... compiling ... done intface.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/argos' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/argos' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/ccsd' Rebuilding src/ccsd/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/ccsd' absorb.f: preprocessing ... compiling ... done cc3ext.f: preprocessing ... compiling ... done ccabc.f: preprocessing ... compiling ... done ccdiis.f: preprocessing ... compiling ... done ccdtucc_loc.f: preprocessing ... compiling ... done ccgradex.f: preprocessing ... compiling ... done ccjext.f: preprocessing ... compiling ... done cckext.f: preprocessing ... compiling ... done cckint_1c.f: preprocessing ... compiling ... done cckint.f: preprocessing ... compiling ... done ccmp2.f: preprocessing ... compiling ... done ccprop_drv.f: preprocessing ... compiling ... done ccqci.f: preprocessing ... compiling ... done ccsave.f: preprocessing ... compiling ... done ccsd.f: preprocessing ... compiling ... done ccv.f: preprocessing ... compiling ... done ccys.f: preprocessing ... compiling ... done cpl.f: preprocessing ... compiling ... done isynpp.f: preprocessing ... compiling ... done mp2dip.f: preprocessing ... compiling ... done mp2pert.f: preprocessing ... compiling ... done mp2pol.f: preprocessing ... compiling ... done rcc3ext_ucc.f: preprocessing ... compiling ... done rcckextconv.f: preprocessing ... compiling ... done reserv_ccsd.f: preprocessing ... compiling ... done rmp2.f: preprocessing ... compiling ... done rmp2trans.f: preprocessing ... compiling ... done save_dens.f: preprocessing ... compiling ... done semican.f: preprocessing ... compiling ... done sortkc.f: preprocessing ... compiling ... done t2tran.f: preprocessing ... compiling ... done triples.f: preprocessing ... compiling ... done tripu.f: preprocessing ... compiling ... done ucckext.f: preprocessing ... compiling ... done uccsd.f: preprocessing ... compiling ... done uccv.f: preprocessing ... compiling ... done ump2.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/ccsd' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/ccsd' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/cpp' Rebuilding src/cpp/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/cpp' cppdriv.f: preprocessing ... compiling ... done cpproj.f: preprocessing ... compiling ... done cpps.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/cpp' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/cpp' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dft' Rebuilding src/dft/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dft' dft.f: preprocessing ... compiling ... done dftfun_ecerf2.f: preprocessing ... compiling ... done dftfun_ecerf.f: preprocessing ... compiling ... done dftfun_ecerfinter.f: preprocessing ... compiling ... done dftfun_ecerflocal2.f: preprocessing ... compiling ... done dftfun_ecerflocal.f: preprocessing ... compiling ... done dftfun_ecerfpbe.f: preprocessing ... compiling ... done dftfun_exerf.f: preprocessing ... compiling ... done dftfun_exerflocal.f: preprocessing ... compiling ... done dftfun_exerfpbe.f: preprocessing ... compiling ... done dftfun.f: preprocessing ... compiling ... done dftgrid.f: preprocessing ... compiling ... done dft_sapt.f: preprocessing ... compiling ... done dfti.f: preprocessing ... compiling ... done dftigrad.f: preprocessing ... compiling ... done dft_matrix1.f: preprocessing ... compiling ... done dft_matrix2.f: preprocessing ... compiling ... done dftuser.f: preprocessing ... compiling ... done dftutil.f: preprocessing ... compiling ... done gridorb.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dft' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dft' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/fci' Rebuilding src/fci/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/fci' fci2.f: preprocessing ... compiling ... done fci.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/fci' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/fci' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/forces' Rebuilding src/forces/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/forces' angkraft.f: preprocessing ... compiling ... done cpf.f: preprocessing ... compiling ... done cpfmo.f: preprocessing ... compiling ... done forces_drv.f: preprocessing ... compiling ... done kraft1a.f: preprocessing ... compiling ... done kraft1b.f: preprocessing ... compiling ... done kraft2.f: preprocessing ... compiling ... done kraft3.f: preprocessing ... compiling ... done krafta.f: preprocessing ... compiling ... done kraft.f: preprocessing ... compiling ... done optconical.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/forces' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/forces' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/lsint' Rebuilding src/lsint/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/lsint' lsaoint.f: preprocessing ... compiling ... done lsint2.f: preprocessing ... compiling ... done lsint.f: preprocessing ... compiling ... done lsone.f: preprocessing ... compiling ... done lssort.f: preprocessing ... compiling ... done sodriver.f: preprocessing ... compiling ... done sortls.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/lsint' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/lsint' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/mrci' Rebuilding src/mrci/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/mrci' ciblk.f: preprocessing ... compiling ... done cicc.f: preprocessing ... compiling ... done cicepa.f: preprocessing ... compiling ... done cicon.f: preprocessing ... compiling ... done cicontrcs.f: preprocessing ... compiling ... done cicontrsini.f: preprocessing ... compiling ... done cicore.f: preprocessing ... compiling ... done cid23h.f: preprocessing ... compiling ... done cidcp.f: preprocessing ... compiling ... done ciden23hc.f: preprocessing ... compiling ... done ciden2a.f: preprocessing ... compiling ... done ciden2a_ms.f: preprocessing ... compiling ... done ciden2.f: preprocessing ... compiling ... done ciden2_ms.f: preprocessing ... compiling ... done cidepp.f: preprocessing ... compiling ... done cidepp_ms.f: preprocessing ... compiling ... done cidflt.f: preprocessing ... compiling ... done cidft.f: preprocessing ... compiling ... done cidiia.f: preprocessing ... compiling ... done cidii.f: preprocessing ... compiling ... done cidii_ms.f: preprocessing ... compiling ... done cidima.f: preprocessing ... compiling ... done cidima_ms.f: preprocessing ... compiling ... done cidimz.f: preprocessing ... compiling ... done cidps.f: preprocessing ... compiling ... done cidps_ms.f: preprocessing ... compiling ... done cidsi.f: preprocessing ... compiling ... done cidsi_ms.f: preprocessing ... compiling ... done cidss.f: preprocessing ... compiling ... done cidss_ms.f: preprocessing ... compiling ... done ciexit.f: preprocessing ... compiling ... done cifile.f: preprocessing ... compiling ... done cifpp.f: preprocessing ... compiling ... done cigam23h.f: preprocessing ... compiling ... done cigam23h_ms.f: preprocessing ... compiling ... done cigam2ppi.f: preprocessing ... compiling ... done cigam2ppi_ms.f: preprocessing ... compiling ... done cigam2pp_ms.f: preprocessing ... compiling ... done cigampsi.f: preprocessing ... compiling ... done cigampsi_ms.f: preprocessing ... compiling ... done cigip.f: preprocessing ... compiling ... done cigis.f: preprocessing ... compiling ... done cigpi.f: preprocessing ... compiling ... done cigpp.f: preprocessing ... compiling ... done cigpq1.f: preprocessing ... compiling ... done cigpq2.f: preprocessing ... compiling ... done cigpq3.f: preprocessing ... compiling ... done cigps.f: preprocessing ... compiling ... done cigptr.f: preprocessing ... compiling ... done cigptrint.f: preprocessing ... compiling ... done cigref.f: preprocessing ... compiling ... done cigsi.f: preprocessing ... compiling ... done cigss.f: preprocessing ... compiling ... done cigveca.f: preprocessing ... compiling ... done cigvec.f: preprocessing ... compiling ... done cihext.f: preprocessing ... compiling ... done cihii.f: preprocessing ... compiling ... done ciinit.f: preprocessing ... compiling ... done ciinp.f: preprocessing ... compiling ... done ciint.f: preprocessing ... compiling ... done cikext.f: preprocessing ... compiling ... done cikils.f: preprocessing ... compiling ... done cilscc.f: preprocessing ... compiling ... done cilsdm.f: preprocessing ... compiling ... done cilsdpp.f: preprocessing ... compiling ... done cils.f: preprocessing ... compiling ... done cilsfock.f: preprocessing ... compiling ... done cilsii.f: preprocessing ... compiling ... done cimp2.f: preprocessing ... compiling ... done ciovpq.f: preprocessing ... compiling ... done cipert.f: preprocessing ... compiling ... done cipro.f: preprocessing ... compiling ... done cipt2.f: preprocessing ... compiling ... done ciref.f: preprocessing ... compiling ... done cirs2den.f: preprocessing ... compiling ... done cirs2exit.f: preprocessing ... compiling ... done cirs2grad.f: preprocessing ... compiling ... done cirs2grad_ms.f: preprocessing ... compiling ... done cirs2iic.f: preprocessing ... compiling ... done cirs2ii.f: preprocessing ... compiling ... done cirs2oviic.f: preprocessing ... compiling ... done cirs2ovssc.f: preprocessing ... compiling ... done cirs2pp.f: preprocessing ... compiling ... done cirs2psc.f: preprocessing ... compiling ... done cirs2ps.f: preprocessing ... compiling ... done cirs2rhs.f: preprocessing ... compiling ... done cirs2sic2.f: preprocessing ... compiling ... done cirs2sic.f: preprocessing ... compiling ... done cirs2ssa.f: preprocessing ... compiling ... done cirs2ssc.f: preprocessing ... compiling ... done cirs2ss.f: preprocessing ... compiling ... done cirs2util2.f: preprocessing ... compiling ... done cirs2util3.f: preprocessing ... compiling ... done cirs2util.f: preprocessing ... compiling ... done cisave.f: preprocessing ... compiling ... done citra_anal.f: preprocessing ... compiling ... done citra_borb.f: preprocessing ... compiling ... done citra_conf.f: preprocessing ... compiling ... done citra_cop.f: preprocessing ... compiling ... done citra_cos.f: preprocessing ... compiling ... done citra.f: preprocessing ... compiling ... done citra_prep.f: preprocessing ... compiling ... done citra_roi.f: preprocessing ... compiling ... done citra_ros.f: preprocessing ... compiling ... done citrdm.f: preprocessing ... compiling ... done citrk.f: preprocessing ... compiling ... done ciutil.f: preprocessing ... compiling ... done kext.f: preprocessing ... compiling ... done MultiStateCaspt2.f: preprocessing ... compiling ... done reservers2.f: preprocessing ... compiling ... done subcitrdm.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/mrci' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/mrci' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/multi' Rebuilding src/multi/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/multi' muaug.f: preprocessing ... compiling ... done mucheck.f: preprocessing ... compiling ... done mucpnr.f: preprocessing ... compiling ... done mucsf.f: preprocessing ... compiling ... done mudet.f: preprocessing ... compiling ... done mudiab.f: preprocessing ... compiling ... done muinit.f: preprocessing ... compiling ... done muinp1.f: preprocessing ... compiling ... done muinp2.f: preprocessing ... compiling ... done muint1.f: preprocessing ... compiling ... done muint2.f: preprocessing ... compiling ... done muio.f: preprocessing ... compiling ... done mukint.f: preprocessing ... compiling ... done multi.f: preprocessing ... compiling ... done munrhlp.f: preprocessing ... compiling ... done mupolar.f: preprocessing ... compiling ... done muprop.f: preprocessing ... compiling ... done musamc.f: preprocessing ... compiling ... done musave.f: preprocessing ... compiling ... done muutil.f: preprocessing ... compiling ... done muwrn1.f: preprocessing ... compiling ... done muwrn2.f: preprocessing ... compiling ... done muwvfc.f: preprocessing ... compiling ... done muwvfn.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/multi' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/multi' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/opt' Rebuilding src/opt/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/opt' bfgs.f: preprocessing ... compiling ... done bmat.f: preprocessing ... compiling ... done bmatutil.f: preprocessing ... compiling ... done bofill.f: preprocessing ... compiling ... done cons.f: preprocessing ... compiling ... done distortnew.f: preprocessing ... compiling ... done frequencies.f: preprocessing ... compiling ... done intc.f: preprocessing ... compiling ... done machbnew.f: preprocessing ... compiling ... done min2d.f: preprocessing ... compiling ... done min2d_powell.f: preprocessing ... compiling ... done modelopt.f: preprocessing ... compiling ... done numgrad_mppx.f: preprocessing ... compiling ... done numhess_mppx.f: preprocessing ... compiling ... done opt_ak.f: preprocessing ... compiling ... done opt_bfgs.f: preprocessing ... compiling ... done opt_drv.f: preprocessing ... compiling ... done opt_ds.f: preprocessing ... compiling ... done optg.f: preprocessing ... compiling ... done opt_qsd.f: preprocessing ... compiling ... done opt_rf.f: preprocessing ... compiling ... done qsd_util.f: preprocessing ... compiling ... done rgf.f: preprocessing ... compiling ... done rgfplug.f: preprocessing ... compiling ... done sl_molpro.f: preprocessing ... compiling ... done utilsrgf.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/opt' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/opt' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/prop' Rebuilding src/prop/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/prop' cube.f: preprocessing ... compiling ... done ddr.f: preprocessing ... compiling ... done dma.f: preprocessing ... compiling ... done nmr.f: preprocessing ... compiling ... done propa.f: preprocessing ... compiling ... done propb.f: preprocessing ... compiling ... done propc.f: preprocessing ... compiling ... done propd.f: preprocessing ... compiling ... done prope.f: preprocessing ... compiling ... done prop.f: preprocessing ... compiling ... done gopenmol.c: compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/prop' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/prop' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/scf' Rebuilding src/scf/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/scf' hfma.f: preprocessing ... compiling ... done locali.f: preprocessing ... compiling ... done matrop.f: preprocessing ... compiling ... done nodiag.f: preprocessing ... compiling ... done pipekm.f: preprocessing ... compiling ... done rhfpro.f: preprocessing ... compiling ... done rotdiag.f: preprocessing ... compiling ... done scfcpp.f: preprocessing ... compiling ... done scfpr0.f: preprocessing ... compiling ... done scfpr1.f: preprocessing ... compiling ... done scfpr2.f: preprocessing ... compiling ... done uhfpro.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/scf' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/scf' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/semi' Rebuilding src/semi/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/semi' semi_ed.f: preprocessing ... compiling ... done semi_gen.f: preprocessing ... compiling ... done semi_int.f: preprocessing ... compiling ... done semi_mndo.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/semi' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/semi' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/seward' Rebuilding src/seward/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/seward' drv2el_compress.f: preprocessing ... compiling ... done iiloc.f: preprocessing ... compiling ... done lattice_oneel.f: preprocessing ... compiling ... done memint_seward.f: preprocessing ... compiling ... done merge_shells.f: preprocessing ... compiling ... done molcas_vars.f: preprocessing ... compiling ... done molcas_dummy.f: preprocessing ... compiling ... done molcas_msg.f: preprocessing ... compiling ... done perm_shells.f: preprocessing ... compiling ... done qtime.f: preprocessing ... compiling ... done qzit.f: preprocessing ... compiling ... done seward_essl.f: preprocessing ... compiling ... done sew_molpro.f: preprocessing ... compiling ... done shell_utils_molpro.f: preprocessing ... compiling ... done wrone_molpro.f: preprocessing ... compiling ... done mck_molpro.F: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/seward' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/seward' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/sort' Rebuilding src/sort/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/sort' aosortv.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/sort' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/sort' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/direct' Rebuilding src/direct/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/direct' dfock.f: preprocessing ... compiling ... done dgmat.f: preprocessing ... compiling ... done dkext.f: preprocessing ... compiling ... done dkexts.f: preprocessing ... compiling ... done dkint.f: preprocessing ... compiling ... done dmp2_driv.f: preprocessing ... compiling ... done drv2el_dfock.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/direct' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/direct' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/casvb' Rebuilding src/casvb/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/casvb' ci_cvb.f: preprocessing ... compiling ... done ciutil_cvb.f: preprocessing ... compiling ... done eis_cvb.f: preprocessing ... compiling ... done init_cvb.f: preprocessing ... compiling ... done input_cvb.f: preprocessing ... compiling ... done main_cvb.f: preprocessing ... compiling ... done molpro_cvb.f: preprocessing ... compiling ... done optim_cvb.f: preprocessing ... compiling ... done perfloc.f: preprocessing ... compiling ... done ploc_cvb.f: preprocessing ... compiling ... done serv_cvb.f: preprocessing ... compiling ... done struc_cvb.f: preprocessing ... compiling ... done symut_cvb.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/casvb' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/casvb' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/local' Rebuilding src/local/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/local' asmbl_k.f: preprocessing ... compiling ... done buffread.f: preprocessing ... compiling ... done center_3ext.f: preprocessing ... compiling ... done cc3extD_locd_cen.f: preprocessing ... compiling ... done ri_utils.f: preprocessing ... compiling ... done df_3ext_toolbox.f: preprocessing ... compiling ... done df3ext_lccsd.f: preprocessing ... compiling ... done cc3extS_locd_cen.f: preprocessing ... compiling ... done ccdomain.f: preprocessing ... compiling ... done cclocal.f: preprocessing ... compiling ... done geminal.f: preprocessing ... compiling ... done ccmp2_gem.f: preprocessing ... compiling ... done ccmp2_loc3.f: preprocessing ... compiling ... done ccmp2_loc.f: preprocessing ... compiling ... done ccmp2_select.f: preprocessing ... compiling ... done ccmp2_ucc_loc.f: preprocessing ... compiling ... done ccpri_loc.f: preprocessing ... compiling ... done ccsd_loc.f: preprocessing ... compiling ... done ri_lmp2g.f: preprocessing ... compiling ... done cftrans_loc.f: preprocessing ... compiling ... done df_aux_eom.f: preprocessing ... compiling ... done df_lcc2_util.f: preprocessing ... compiling ... done df_lcc2_V1.f: preprocessing ... compiling ... done df_lcc2_V2.f: preprocessing ... compiling ... done df_lcc2lr_V1.f: preprocessing ... compiling ... done dftrans_lcc2.f: preprocessing ... compiling ... done dftrans_lccsd.f: preprocessing ... compiling ... done dftrans_lmp2.f: preprocessing ... compiling ... done dftrans_lmp2_r12.f: preprocessing ... compiling ... done sav3ext_cen.f: preprocessing ... compiling ... done drv_34ext_loc.f: preprocessing ... compiling ... done enepart.f: preprocessing ... compiling ... done fitmltp.f: preprocessing ... compiling ... done gemctl_drv.f: preprocessing ... compiling ... done ri_lcc.f: preprocessing ... compiling ... done rib_lcc.f: preprocessing ... compiling ... done kext_4ext.f: preprocessing ... compiling ... done kijmltp.f: preprocessing ... compiling ... done locorb.f: preprocessing ... compiling ... done luccsd_util.f: preprocessing ... compiling ... done mergedom.f: preprocessing ... compiling ... done mltexp.f: preprocessing ... compiling ... done mltops.f: preprocessing ... compiling ... done mo_squeeze.f: preprocessing ... compiling ... done mxmadd.f: preprocessing ... compiling ... done nkext4ext.f: preprocessing ... compiling ... done opdom.f: preprocessing ... compiling ... done orbbatch.f: preprocessing ... compiling ... done orbdom.f: preprocessing ... compiling ... done pairdom.f: preprocessing ... compiling ... done project.f: preprocessing ... compiling ... done r12dom.f: preprocessing ... compiling ... done region.f: preprocessing ... compiling ... done rilmp2g.f: preprocessing ... compiling ... done risum_r12.f: preprocessing ... compiling ... done rmp2_loc.f: preprocessing ... compiling ... done schwarz.f: preprocessing ... compiling ... done spinpro_loc.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/local' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/local' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/lccsd' Rebuilding src/lccsd/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/lccsd' cc3ext_locd.f: preprocessing ... compiling ... done cc3ext_loc.f: preprocessing ... compiling ... done ccv_loc3.f: preprocessing ... compiling ... done ccv_loc4.f: preprocessing ... compiling ... done ccv_ucc_loc4.f: preprocessing ... compiling ... done dgmat1.f: preprocessing ... compiling ... done kext_3ext.f: preprocessing ... compiling ... done loctripit.f: preprocessing ... compiling ... done tripl3ext_cen.f: preprocessing ... compiling ... done loctrippt.f: preprocessing ... compiling ... done loctripl.f: preprocessing ... compiling ... done loctripres.f: preprocessing ... compiling ... done make_jkoper_lucc.f: preprocessing ... compiling ... done rcc3ext_loc1.f: preprocessing ... compiling ... done ucckext2.f: preprocessing ... compiling ... done ucckext_loc.f: preprocessing ... compiling ... done uccsd_loc.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/lccsd' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/lccsd' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dtraf' Rebuilding src/dtraf/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dtraf' aodom.f: preprocessing ... compiling ... done binsrt.f: preprocessing ... compiling ... done BlkBinSort_big.f: preprocessing ... compiling ... done BlkBinSort.f: preprocessing ... compiling ... done dmp2en.f: preprocessing ... compiling ... done dmp2.f: preprocessing ... compiling ... done drv2el_full.f: preprocessing ... compiling ... done drv2el_half.f: preprocessing ... compiling ... done drv2el_l3ext_cen.f: preprocessing ... compiling ... done drv2el_l3ext.f: preprocessing ... compiling ... done lmp2g3ext_cen.f: preprocessing ... compiling ... done drv2el_l3ext_lmp2g.f: preprocessing ... compiling ... done drv2el_l4ext.f: preprocessing ... compiling ... done drv2el_lccsd.f: preprocessing ... compiling ... done drv2el_llmp2.f: preprocessing ... compiling ... done drv2el_pg.f: preprocessing ... compiling ... done drv2el_pgk.f: preprocessing ... compiling ... done dtfdbg.f: preprocessing ... compiling ... done dtfint2.f: preprocessing ... compiling ... done dtfint.f: preprocessing ... compiling ... done dtfmem.f: preprocessing ... compiling ... done dtraf_3ext.f: preprocessing ... compiling ... done dtraf_4ext.f: preprocessing ... compiling ... done dtraf.f: preprocessing ... compiling ... done dtraf_lccsd.f: preprocessing ... compiling ... done dtraf_lmp2.f: preprocessing ... compiling ... done dtraf_tripl.f: preprocessing ... compiling ... done dtra_sort.f: preprocessing ... compiling ... done oplist.f: preprocessing ... compiling ... done sobinf_4ext.f: preprocessing ... compiling ... done sobinf.f: preprocessing ... compiling ... done timtra.f: preprocessing ... compiling ... done unfold.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dtraf' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dtraf' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/hessian' Rebuilding src/hessian/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/hessian' cphf_general.f: preprocessing ... compiling ... done cphf_hessian.f: preprocessing ... compiling ... done hess_cirhs.f: preprocessing ... compiling ... done hess_cpmcscf.f: preprocessing ... compiling ... done hess_filld.f: preprocessing ... compiling ... done hess_getdim.f: preprocessing ... compiling ... done hess_getovl.f: preprocessing ... compiling ... done hessian_drv.f: preprocessing ... compiling ... done hessian.f: preprocessing ... compiling ... done hess_intder.f: preprocessing ... compiling ... done hess_orbrhs.f: preprocessing ... compiling ... done hess_pople.f: preprocessing ... compiling ... done hess_start.f: preprocessing ... compiling ... done hess_trint.f: preprocessing ... compiling ... done hfmas.f: preprocessing ... compiling ... done hfpol.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/hessian' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/hessian' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/lx' Rebuilding src/lx/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/lx' coulomb.f: preprocessing ... compiling ... done lhf.f: preprocessing ... compiling ... done dflhf.f: preprocessing ... compiling ... done lhf_iter.f: preprocessing ... compiling ... done lx.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/lx' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/lx' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/eom' Rebuilding src/eom/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/eom' anawf.f: preprocessing ... compiling ... done autocc.f: preprocessing ... compiling ... done cc3ext_next.f: preprocessing ... compiling ... done cceom.f: preprocessing ... compiling ... done cceom_loc4.f: preprocessing ... compiling ... done cceom_loc.f: preprocessing ... compiling ... done ccrel.f: preprocessing ... compiling ... done ccrel_test.f: preprocessing ... compiling ... done ccsdp.f: preprocessing ... compiling ... done cis.f: preprocessing ... compiling ... done df_cckext.f: preprocessing ... compiling ... done diagofa.f: preprocessing ... compiling ... done diagofa_loc.f: preprocessing ... compiling ... done dolresi.f: preprocessing ... compiling ... done doresid.f: preprocessing ... compiling ... done doresid_loc.f: preprocessing ... compiling ... done eomloc.f: preprocessing ... compiling ... done extract.f: preprocessing ... compiling ... done extract_loc.f: preprocessing ... compiling ... done ldip.f: preprocessing ... compiling ... done make_S_oper.f: preprocessing ... compiling ... done nsdavid.f: preprocessing ... compiling ... done nsdavid_loc.f: preprocessing ... compiling ... done opdom_eom.f: preprocessing ... compiling ... done propag.f: preprocessing ... compiling ... done rdip.f: preprocessing ... compiling ... done sa0_28.f: preprocessing ... compiling ... done sf0_49.f: preprocessing ... compiling ... done sf50_112.f: preprocessing ... compiling ... done util_auto.f: preprocessing ... compiling ... done util_cc2.f: preprocessing ... compiling ... done util_eom.f: preprocessing ... compiling ... done xccden.f: preprocessing ... compiling ... done xt0_31.f: preprocessing ... compiling ... done xx0_56.f: preprocessing ... compiling ... done xx57_82.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/eom' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/eom' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/cfit' Rebuilding src/cfit/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/cfit' cfit_auto_aux.f: preprocessing ... compiling ... done cfit_aux.f: preprocessing ... compiling ... done cfit_basis.f: preprocessing ... compiling ... done cfit_chkden.f: preprocessing ... compiling ... done cfit_dftri.f: preprocessing ... compiling ... done cfit_dj.f: preprocessing ... compiling ... done cfit_early.f: preprocessing ... compiling ... done cfit.f: preprocessing ... compiling ... done cfit_fock.f: preprocessing ... compiling ... done cfit_force.f: preprocessing ... compiling ... done cfit_jabc.f: preprocessing ... compiling ... done cfit_jabc_sh.f: preprocessing ... compiling ... done cfit_jab_sh.f: preprocessing ... compiling ... done cfit_jf_add.f: preprocessing ... compiling ... done cfit_jf.f: preprocessing ... compiling ... done cfit_lin_alg.f: preprocessing ... compiling ... done cfit_mdvx.f: preprocessing ... compiling ... done cfit_sabc.f: preprocessing ... compiling ... done cfit_sabc_orb.f: preprocessing ... compiling ... done cfit_sab_sh.f: preprocessing ... compiling ... done cfit_special.f: preprocessing ... compiling ... done cfit_util.f: preprocessing ... compiling ... done risc_den.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/cfit' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/cfit' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dmscf' Rebuilding src/dmscf/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dmscf' dmscf_big_dipole.f: preprocessing ... compiling ... done dmscf_big_l.f: preprocessing ... compiling ... done dmscf_big_T_sh.f: preprocessing ... compiling ... done dmscf_big_v.f: preprocessing ... compiling ... done dmscf_bigv_sh.f: preprocessing ... compiling ... done dmscf_conj_grad.f: preprocessing ... compiling ... done dmscf_contract.f: preprocessing ... compiling ... done dmscf_dipoles.f: preprocessing ... compiling ... done dmscf.f: preprocessing ... compiling ... done dmscf_kinetic.f: preprocessing ... compiling ... done dmscf_little.f: preprocessing ... compiling ... done dmscf_nrep.f: preprocessing ... compiling ... done dmscf_rho1.f: preprocessing ... compiling ... done dmscf_stubs.f: preprocessing ... compiling ... done dmscf_tables.f: preprocessing ... compiling ... done dmscf_T_alpha_ao.f: preprocessing ... compiling ... done dmscf_z.f: preprocessing ... compiling ... done dmscf_z_legacy.f: preprocessing ... compiling ... done dmscf_z_sh.f: preprocessing ... compiling ... done dmscf_z_sh_v2.f: preprocessing ... compiling ... done dmscf_z_spec.f: preprocessing ... compiling ... done dmscf_z_tri_form.f: preprocessing ... compiling ... done dmzc_outer_test.f: preprocessing ... compiling ... done mth_out.f: preprocessing ... compiling ... done norm_prim.f: preprocessing ... compiling ... done testit.f: preprocessing ... compiling ... done testitz.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dmscf' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dmscf' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/blas' Rebuilding src/blas/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/blas' blas1.f: preprocessing ... compiling ... done blas2.f: preprocessing ... compiling ... done blas3.f: preprocessing ... compiling ... done blas4.f: preprocessing ... compiling ... done gamma.f: preprocessing ... compiling ... done lapack0.f: preprocessing ... compiling ... done lapack1.f: preprocessing ... compiling ... done lapack2.f: preprocessing ... compiling ... done lapack3.f: preprocessing ... compiling ... done lapack4.f: preprocessing ... compiling ... done matrix1.f: preprocessing ... compiling ... done matrix.f: preprocessing ... compiling ... done matrix_mpp.f: preprocessing ... compiling ... done mxm3.f: preprocessing ... compiling ... done mxm4.f: preprocessing ... compiling ... done mxma2.f: preprocessing ... compiling ... done mxma2_nn.f: preprocessing ... compiling ... done mxma2_nt.f: preprocessing ... compiling ... done mxma2_tn.f: preprocessing ... compiling ... done mxma_mpp.f: preprocessing ... compiling ... done mxmdgm.f: preprocessing ... compiling ... done mxm.f: preprocessing ... compiling ... done mxml1b.f: preprocessing ... compiling ... done mxml1.f: preprocessing ... compiling ... done mxml2b.f: preprocessing ... compiling ... done mxml2.f: preprocessing ... compiling ... done mxml3b.f: preprocessing ... compiling ... done mxml3.f: preprocessing ... compiling ... done mxml4b.f: preprocessing ... compiling ... done mxml4.f: preprocessing ... compiling ... done mxml5b.f: preprocessing ... compiling ... done mxml5.f: preprocessing ... compiling ... done mxml6b.f: preprocessing ... compiling ... done mxml6.f: preprocessing ... compiling ... done mxs.f: preprocessing ... compiling ... done mxt.f: preprocessing ... compiling ... done mxv.f: preprocessing ... compiling ... done oprs.f: preprocessing ... compiling ... done utlmar.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/blas' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/blas' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dalton' Rebuilding src/dalton/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dalton' dalton_molpro.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dalton' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dalton' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/basis' Rebuilding src/basis/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/basis' basis_3ei_grid.f: preprocessing ... compiling ... done basis_3idx_batchc.f: preprocessing ... compiling ... done basis_3idx_batch.f: preprocessing ... compiling ... done basis_froz_gem.f: preprocessing ... compiling ... done basis_3idx.f: preprocessing ... compiling ... done basis_3idx_mem.f: preprocessing ... compiling ... done basis.f: preprocessing ... compiling ... done basis_contract.f: preprocessing ... compiling ... done basis_aoinfo.f: preprocessing ... compiling ... done basis_cen_block.f: preprocessing ... compiling ... done basis_eri.f: preprocessing ... compiling ... done basis_evaluate.f: preprocessing ... compiling ... done basis_forces.f: preprocessing ... compiling ... done basis_GPT.f: preprocessing ... compiling ... done basis_gradient_batchs.f: preprocessing ... compiling ... done basis_integral_batchs2.f: preprocessing ... compiling ... done basis_integral_batchs.f: preprocessing ... compiling ... done basis_integrals.f: preprocessing ... compiling ... done basis_integral_shells.f: preprocessing ... compiling ... done basis_linsolve.f: preprocessing ... compiling ... done basis_pot.f: preprocessing ... compiling ... done basis_shell_Jn.f: preprocessing ... compiling ... done basis_sparse.f: preprocessing ... compiling ... done kincorr.f: preprocessing ... compiling ... done lattice_gradient.f: preprocessing ... compiling ... done load_basis.f: preprocessing ... compiling ... done vfi.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/basis' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/basis' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/explicit' Rebuilding src/explicit/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/explicit' explicit_3el_ints.f: preprocessing ... compiling ... done explicit_3el_shell.f: preprocessing ... compiling ... done explicit_3ix.f: preprocessing ... compiling ... done explicit_util.f: preprocessing ... compiling ... done explicit_ansatz_2.f: preprocessing ... compiling ... done explicit_dfmp2r12.f: preprocessing ... compiling ... done explicit_historical.f: preprocessing ... compiling ... done explicit_mp2.f: preprocessing ... compiling ... done explicit_ops.f: preprocessing ... compiling ... done explicit_r12mp2.f: preprocessing ... compiling ... done explicit_text_process.f: preprocessing ... compiling ... done ritrabl.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/explicit' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/explicit' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/vscf' Rebuilding src/vscf/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/vscf' coriolis.f: preprocessing ... compiling ... done extern.f: preprocessing ... compiling ... done selvci.f: preprocessing ... compiling ... done surface.f: preprocessing ... compiling ... done tools.f: preprocessing ... compiling ... done vci.f: preprocessing ... compiling ... done vibdrv.f: preprocessing ... compiling ... done viberr.f: preprocessing ... compiling ... done vscf.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/vscf' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/vscf' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/cosmo' Rebuilding src/cosmo/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/cosmo' ansude.f: preprocessing ... compiling ... done calc_pot.f: preprocessing ... compiling ... done cavnuc_grd.f: preprocessing ... compiling ... done consts.f: preprocessing ... compiling ... done coschol1.f: preprocessing ... compiling ... done coschol2.f: preprocessing ... compiling ... done cosmo_basis.f: preprocessing ... compiling ... done cosmo_correl.f: preprocessing ... compiling ... done cosmo_gradient.f: preprocessing ... compiling ... done cosmo_init.f: preprocessing ... compiling ... done cosmoload_qhf.f: preprocessing ... compiling ... done cosmo_oc.f: preprocessing ... compiling ... done cosmo_open.f: preprocessing ... compiling ... done cosmo_setamat.f: preprocessing ... compiling ... done cosmo_surf.f: preprocessing ... compiling ... done dvfill.f: preprocessing ... compiling ... done fill_cosmo_grd1082.f: preprocessing ... compiling ... done get_hfden.f: preprocessing ... compiling ... done get_replgrd.f: preprocessing ... compiling ... done is_irred.f: preprocessing ... compiling ... done repl_pt.f: preprocessing ... compiling ... done setamat.f: preprocessing ... compiling ... done symfactor.f: preprocessing ... compiling ... done traop_cosmo.f: preprocessing ... compiling ... done writecosmo.f: preprocessing ... compiling ... done writsude.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/cosmo' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/cosmo' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dfit' Rebuilding src/dfit/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/dfit' dfasmbl_coul.f: preprocessing ... compiling ... done dfasmbl_loc1.f: preprocessing ... compiling ... done dfexch.f: preprocessing ... compiling ... done dfmp2.f: preprocessing ... compiling ... done dfsort_loc.f: preprocessing ... compiling ... done dftrans_loc1.f: preprocessing ... compiling ... done dftrans_loc2.f: preprocessing ... compiling ... done df_utils.f: preprocessing ... compiling ... done rimp2.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dfit' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/dfit' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/sapt' Rebuilding src/sapt/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/sapt' ri_utils_sapt.f: preprocessing ... compiling ... done modules_sapt.f90: preprocessing ... compiling ... done dfdftsapt.f: preprocessing ... compiling ... done df_integrals.f: preprocessing ... compiling ... done gridauxorb.f: preprocessing ... compiling ... done interface.f: preprocessing ... compiling ... done sapt_driv.f: preprocessing ... compiling ... done dispersion.f90: preprocessing ... compiling ... done integrals.f90: preprocessing ... compiling ... done response.f90: preprocessing ... compiling ... done sapt_driver.f90: preprocessing ... compiling ... done sapt.f90: preprocessing ... compiling ... done utils_sapt.f90: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/sapt' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/sapt' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/qmc' Rebuilding src/qmc/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/qmc' qmc.f90: preprocessing ... compiling ... done qmc_main.f90: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/qmc' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/qmc' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/nbo' Rebuilding src/nbo/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/nbo' nbo.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/nbo' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/nbo' make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/old_slapaf' Rebuilding src/old_slapaf/depend make[3]: Entering directory `/comp/ab/molpro-2002_10/test/3/src/old_slapaf' old_bend.f: preprocessing ... compiling ... done old_dbcopy.f: preprocessing ... compiling ... done old_dcr.f: preprocessing ... compiling ... done old_ddv.f: preprocessing ... compiling ... done old_inter.f: preprocessing ... compiling ... done old_nonsym.f: preprocessing ... compiling ... done old_nred2.f: preprocessing ... compiling ... done old_nred.f: preprocessing ... compiling ... done old_nxtwrd.f: preprocessing ... compiling ... done old_recprt.f: preprocessing ... compiling ... done old_strtch.f: preprocessing ... compiling ... done old_triprt.f: preprocessing ... compiling ... done old_trsn.f: preprocessing ... compiling ... done old_union.f: preprocessing ... compiling ... done make[3]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/old_slapaf' make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src/old_slapaf' if [ ! -r ../lib/libmolpro.a ]; then \ echo "Rebuilding ../lib/libmolpro.a from scratch" ;\ ar -q ../lib/libmolpro.a licence.o ; \ for d in global Molcas util argos ccsd cpp dft fci forces lsint mrci multi opt prop scf semi seward sort direct casvb local lccsd dtraf hessian lx eom cfit dmscf blas dalton basis explicit vscf cosmo dfit sapt qmc nbo old_slapaf ; do \ ar -q ../lib/libmolpro.a $d/*.o ; \ done ; \ true ../lib/libmolpro.a ; \ else \ echo "Updating ../lib/libmolpro.a" ;\ make ../lib/libmolpro.a ; \ fi Updating ../lib/libmolpro.a make[2]: Entering directory `/comp/ab/molpro-2002_10/test/3/src' ar -r ../lib/libmolpro.a global/configuration_symbols.o global/global_module_dummy.o global/result.o global/xml.o global/xmloutput.o Molcas/abend.o Molcas/absadd.o Molcas/acore.o Molcas/add_info.o Molcas/alaska.o Molcas/allocate_iwork.o Molcas/allocate_work.o Molcas/allok2.o Molcas/ampint.o Molcas/ampmem.o Molcas/ampr.o Molcas/ang2.o Molcas/angle_list.o Molcas/angles.o Molcas/arcos.o Molcas/arsin.o Molcas/ass1a.o Molcas/ass1b.o Molcas/ass1.o Molcas/ass2a.o Molcas/ass2b.o Molcas/ass2.o Molcas/ass3a.o Molcas/ass3b.o Molcas/ass3.o Molcas/assemble_dTdmu.o Molcas/assemble_ppgrd.o Molcas/assg1_mck.o Molcas/assg1.o Molcas/assg2.o Molcas/assmbl.o Molcas/atmlst.o Molcas/auxil.o Molcas/banner.o Molcas/bcheck.o Molcas/bend.o Molcas/bfgs_sl.o Molcas/binom.o Molcas/bino.o Molcas/binte.o Molcas/bmtrx.o Molcas/bond_list.o Molcas/bond_tester.o Molcas/box.o Molcas/bpupd.o Molcas/bput.o Molcas/btilde.o Molcas/c1diis.o Molcas/c2diis.o Molcas/carsph.o Molcas/cbput.o Molcas/cff2d.o Molcas/cff2dq.o Molcas/cff2ds.o Molcas/chaalp.o Molcas/change.o Molcas/checkmem_ints.o Molcas/chk4nan.o Molcas/chklbl.o Molcas/chtab.o Molcas/cllct2.o Molcas/cllct.o Molcas/closep.o Molcas/closer.o Molcas/clr2.o Molcas/clrbuf.o Molcas/clssew.o Molcas/cmbn2dc.o Molcas/cmbnacb1.o Molcas/cmbnacb2.o Molcas/cmbnac.o Molcas/cmbncb.o Molcas/cmbnke.o Molcas/cmbnker.o Molcas/cmbnm2.o Molcas/cmbnmp.o Molcas/cmbnmpr.o Molcas/cmbnmv.o Molcas/cmbns1_mck.o Molcas/cmbns1.o Molcas/cmbns2a.o Molcas/cmbns2b.o Molcas/cmbns2.o Molcas/cmbnt1_mck.o Molcas/cmbnt1.o Molcas/cmbnt2.o Molcas/cmbnve.o Molcas/cmpcts.o Molcas/cnt1el.o Molcas/cnthlf_mck.o Molcas/cnthlf.o Molcas/cntrct_mck.o Molcas/cntrct.o Molcas/cofmss.o Molcas/conint.o Molcas/conmax.o Molcas/connect_fragments.o Molcas/con_opt.o Molcas/convrg.o Molcas/coordshl.o Molcas/coreb.o Molcas/cortab.o Molcas/cosgrd.o Molcas/cosys.o Molcas/covrad.o Molcas/covradt.o Molcas/cow.o Molcas/cp_spcint.o Molcas/crsph1.o Molcas/crsph2.o Molcas/crsph_mck.o Molcas/crtcmp.o Molcas/ctldns.o Molcas/ctrlmo.o Molcas/curvil.o Molcas/d1int.o Molcas/d1mach.o Molcas/d1mem.o Molcas/damp.o Molcas/dan.o Molcas/darwin.o Molcas/dbcopy.o Molcas/d_bend.o Molcas/d_bond.o Molcas/d_cart.o Molcas/dcopiv.o Molcas/dcr.o Molcas/ddot_sp.o Molcas/ddv.o Molcas/decode.o Molcas/dede_mck.o Molcas/dede.o Molcas/dede_scf.o Molcas/defint2.o Molcas/defint.o Molcas/def_shells.o Molcas/dens_info.o Molcas/derctr.o Molcas/desym1.o Molcas/desymd.o Molcas/desymp.o Molcas/dfp.o Molcas/dgemm_tri.o Molcas/diag_driver.o Molcas/diagmtrx.o Molcas/dihedr.o Molcas/din.o Molcas/dissoc.o Molcas/distg1.o Molcas/distg1x.o Molcas/distg2.o Molcas/distg2x.o Molcas/dkh_driver.o Molcas/dkhinf.o Molcas/dkrelint.o Molcas/dmpinf.o Molcas/dmsint.o Molcas/dmsmem.o Molcas/dot1el.o Molcas/dozeta.o Molcas/dqag.o Molcas/drv1el.o Molcas/drv2el_ls.o Molcas/drv2el.o Molcas/drv2el_scf.o Molcas/drvg1.o Molcas/drvg2.o Molcas/drvh1_mck.o Molcas/drvh1.o Molcas/drvh2.o Molcas/drvk2_mck.o Molcas/drvk2.o Molcas/drvn0.o Molcas/drvn1_mck.o Molcas/drvn1.o Molcas/drvn2.o Molcas/drv_pot.o Molcas/drvprop.o Molcas/drvuph.o Molcas/dstinf.o Molcas/dstncs.o Molcas/dTdmu_int.o Molcas/dTdmu_mem.o Molcas/d_trsn.o Molcas/dzero.o Molcas/eafmod.o Molcas/ecp_shells.o Molcas/efint.o Molcas/efmem.o Molcas/efmmp.o Molcas/efnuc.o Molcas/efprm.o Molcas/egpint.o Molcas/egpmem.o Molcas/egp.o Molcas/elred.o Molcas/epeint.o Molcas/epemem.o Molcas/eq.o Molcas/errtra.o Molcas/esoint_ls.o Molcas/esoint.o Molcas/esti.o Molcas/eu.o Molcas/eval_grads.o Molcas/eval_ints_ls.o Molcas/eval_ints_.o Molcas/eval_ints.o Molcas/exp_1.o Molcas/exp_2.o Molcas/extension.o Molcas/fake.o Molcas/fastio.o Molcas/fckacc_mck.o Molcas/fckacc_nosym.o Molcas/fckacc.o Molcas/fckdst.o Molcas/fiddle.o Molcas/fiin.o Molcas/find_bonds.o Molcas/find_min.o Molcas/fix_2nder.o Molcas/fixhess.o Molcas/fixic.o Molcas/fockmat_ls.o Molcas/force.o Molcas/fradf.o Molcas/free_dede.o Molcas/free_gtlist.o Molcas/free_iwork.o Molcas/freek2.o Molcas/free_pplist.o Molcas/free_rctfld.o Molcas/free_tlist.o Molcas/free_work.o Molcas/freeze_default.o Molcas/funi_init.o Molcas/fupd.o Molcas/gamma2.o Molcas/gammaf.o Molcas/gammat.o Molcas/gamod.o Molcas/gauss.o Molcas/gencoo.o Molcas/geninv.o Molcas/gen_isd4.o Molcas/gen_relpointers.o Molcas/getbs.o Molcas/get_curvil.o Molcas/getecp.o Molcas/get_exfac.o Molcas/getinf.o Molcas/get_info_dynamic.o Molcas/get_info_static.o Molcas/getlsdcr.o Molcas/get_molecule.o Molcas/gr_darray.o Molcas/hcopy.o Molcas/her01.o Molcas/her11.o Molcas/her22.o Molcas/her33.o Molcas/her44.o Molcas/her55.o Molcas/her66.o Molcas/her77.o Molcas/her88.o Molcas/her99.o Molcas/hermit.o Molcas/highfm.o Molcas/hrr1.o Molcas/hrr2da_mck.o Molcas/hrr2da.o Molcas/hrr2db_mck.o Molcas/hrr2db.o Molcas/hrrctl_mck.o Molcas/hrrctl.o Molcas/hrrmtrxls.o Molcas/hrrmtrx.o Molcas/hrr.o Molcas/hsort.o Molcas/hsr.o Molcas/hupd.o Molcas/icfrst.o Molcas/ichatm.o Molcas/iclast.o Molcas/icntrshl.o Molcas/ideg.o Molcas/iget.o Molcas/ijkl_inc.o Molcas/ijkl_incq.o Molcas/indsft_copy.o Molcas/indsft_cpfck.o Molcas/indsft_fock.o Molcas/indsftls.o Molcas/indsft.o Molcas/inew.o Molcas/inibuf.o Molcas/inisewm.o Molcas/inisew.o Molcas/init2.o Molcas/init_gtlist.o Molcas/initim.o Molcas/init_pplist.o Molcas/init_slapaf.o Molcas/init_tlist.o Molcas/inputg.o Molcas/inputil.o Molcas/input_seward.o Molcas/inquire.o Molcas/integral_wrout.o Molcas/intergeo.o Molcas/inter.o Molcas/intfcm.o Molcas/intoca.o Molcas/int_parm_g.o Molcas/int_prep_g.o Molcas/int_setup.o Molcas/ipntso.o Molcas/ip_of_iwork.o Molcas/ip_of_work.o Molcas/iprmt.o Molcas/irrfnc.o Molcas/isotope.o Molcas/iswap.o Molcas/itabrow.o Molcas/iu.o Molcas/iur.o Molcas/ivcprt.o Molcas/jacob.o Molcas/jacord.o Molcas/k2loop_mck.o Molcas/k2loop.o Molcas/king.o Molcas/knegrd_mck.o Molcas/knegrd.o Molcas/knehss.o Molcas/kneint.o Molcas/knemem_mck.o Molcas/knemem.o Molcas/knemmg.o Molcas/knemmh.o Molcas/kntc.o Molcas/langevin_on.o Molcas/lbend1.o Molcas/lcopy.o Molcas/leftad.o Molcas/lempty.o Molcas/list2.o Molcas/list.o Molcas/lmnvgn.o Molcas/lnm.o Molcas/lnsrch.o Molcas/lsdenfill.o Molcas/ltocore.o Molcas/ltosph.o Molcas/m1grd_mck.o Molcas/m1grd.o Molcas/m1hss.o Molcas/m1int.o Molcas/m1kernel.o Molcas/m1mem.o Molcas/m1mm1.o Molcas/m1mmg.o Molcas/m2grd.o Molcas/m2int.o Molcas/m2mem.o Molcas/m2mmg.o Molcas/machar.o Molcas/magic_bonds.o Molcas/make_labels.o Molcas/makemo.o Molcas/mckinley.o Molcas/memrg1.o Molcas/memrg2.o Molcas/memrys_g.o Molcas/memrys_ls.o Molcas/memrys.o Molcas/memso1.o Molcas/memso2_ls.o Molcas/memso2.o Molcas/memso2_P.o Molcas/memtra.o Molcas/mhrr.o Molcas/minv.o Molcas/mkfck.o Molcas/mltint.o Molcas/mltlbl.o Molcas/mltmem.o Molcas/mltmmp.o Molcas/mltnuc.o Molcas/mltpl.o Molcas/mltprm.o Molcas/moacc.o Molcas/modu2.o Molcas/module_parms.o Molcas/molcas_open_ext.o Molcas/molcas_open.o Molcas/molcas_order.o Molcas/mpp.o Molcas/mspinv.o Molcas/msp.o Molcas/mult_sro.o Molcas/mveint.o Molcas/mvemem.o Molcas/mve.o Molcas/mxlbls.o Molcas/n2tri.o Molcas/na2mem.o Molcas/nagrd_mck.o Molcas/nagrd.o Molcas/nahss.o Molcas/naint.o Molcas/namem_mck.o Molcas/namem.o Molcas/nammg.o Molcas/nammh.o Molcas/nbfshl.o Molcas/ncobond.o Molcas/newcar.o Molcas/newh.o Molcas/newpk.o Molcas/newq.o Molcas/nmnumb.o Molcas/nmo.o Molcas/nona2.o Molcas/nonsym.o Molcas/no_routine.o Molcas/nred2.o Molcas/nred.o Molcas/nrmlz.o Molcas/nropr.o Molcas/nr_shellpairs.o Molcas/nr_shells.o Molcas/nsoint.o Molcas/nucexp.o Molcas/nucind.o Molcas/nu.o Molcas/nxtwrd.o Molcas/oamint.o Molcas/oammem.o Molcas/ochrr.o Molcas/oneel_g.o Molcas/oneel_ls.o Molcas/oneel.o Molcas/optrms.o Molcas/optrms_slapaf.o Molcas/orbtype.o Molcas/order_axis.o Molcas/outofplane_list.o Molcas/outofp.o Molcas/output_sl.o Molcas/ovrgrd_mck.o Molcas/ovrgrd.o Molcas/ovrhss.o Molcas/ovrmem_mck.o Molcas/ovrmmg.o Molcas/ovrmmh.o Molcas/parainfo.o Molcas/pckint_mck.o Molcas/pckint.o Molcas/pckmo2.o Molcas/pcmgrd.o Molcas/pcmmmg.o Molcas/pcm_on.o Molcas/pgamma.o Molcas/pget0.o Molcas/pget1_aces.o Molcas/pget1.o Molcas/pget2_aces.o Molcas/pget2.o Molcas/pget3.o Molcas/pget4.o Molcas/pickmo.o Molcas/picky_.o Molcas/picky.o Molcas/p_int.o Molcas/plf_copy.o Molcas/plf_cpfck.o Molcas/plf_fock.o Molcas/plf.o Molcas/p_mem.o Molcas/pos_qlast.o Molcas/potint.o Molcas/poti.o Molcas/ppgrd.o Molcas/ppint.o Molcas/ppmem.o Molcas/ppmmg.o Molcas/pppp.o Molcas/ppps.o Molcas/ppss.o Molcas/prbas.o Molcas/prepp.o Molcas/prepre_g.o Molcas/prepro.o Molcas/prgrad.o Molcas/printq_sl.o Molcas/printtim.o Molcas/priwel.o Molcas/prjgrd_mck.o Molcas/prjgrd.o Molcas/prjhss.o Molcas/prjint.o Molcas/prjmem.o Molcas/prjmm1.o Molcas/prjmmg.o Molcas/prmtrx.o Molcas/projsym.o Molcas/psdint.o Molcas/psdmem.o Molcas/pseudo1.o Molcas/pseudo2.o Molcas/pseudo.o Molcas/psoao0_h.o Molcas/psoao0ls.o Molcas/psoao0.o Molcas/psoao1.o Molcas/psoao2.o Molcas/psps.o Molcas/psss.o Molcas/ptrans.o Molcas/ptrans_sa.o Molcas/put_qlast.o Molcas/pvint.o Molcas/pvmem.o Molcas/pvpint.o Molcas/pvpmem.o Molcas/qnr.o Molcas/qrint.o Molcas/quit.o Molcas/rad1.o Molcas/rad2.o Molcas/radlc.o Molcas/rdbsl.o Molcas/rdctl_seward.o Molcas/rdctl_sl.o Molcas/rdmx.o Molcas/rd_udic.o Molcas/readab.o Molcas/read_bin.o Molcas/recprt.o Molcas/relsew.o Molcas/repmat.o Molcas/resortd.o Molcas/rf_coord.o Molcas/rf_on.o Molcas/rigrot.o Molcas/rint.o Molcas/rkappa_zeta.o Molcas/rlsmem_ints.o Molcas/rlxctl.o Molcas/rmass.o Molcas/rotder.o Molcas/roth.o Molcas/rowel.o Molcas/rrint.o Molcas/rs2dgh.o Molcas/rs2dmm.o Molcas/rs-i-rfo.o Molcas/rs-p-rfo.o Molcas/rs-rfo.o Molcas/r_stab_a.o Molcas/rsv_gtlist.o Molcas/rtocore.o Molcas/rtosph.o Molcas/rtswgh.o Molcas/rys01.o Molcas/rys11.o Molcas/rys22.o Molcas/rys2dg.o Molcas/rys2dls.o Molcas/rys2d.o Molcas/rys33.o Molcas/rys44.o Molcas/rys55.o Molcas/rys66.o Molcas/rys77.o Molcas/rys88.o Molcas/rys99.o Molcas/rysef0ls.o Molcas/rysef0.o Molcas/rysefls.o Molcas/rysef.o Molcas/rysg1.o Molcas/rysg2.o Molcas/rysls.o Molcas/rys.o Molcas/savtim.o Molcas/schint_mck.o Molcas/schint.o Molcas/screen_g.o Molcas/screenls.o Molcas/screen_mck.o Molcas/screen.o Molcas/set_basis_mode.o Molcas/set_binom.o Molcas/set_canind.o Molcas/sether.o Molcas/setmem_ints.o Molcas/set_thrint.o Molcas/setup1.o Molcas/setupa.o Molcas/setup_ints.o Molcas/setup_isd.o Molcas/setupr.o Molcas/setup_rw.o Molcas/seward_init.o Molcas/seward_ls.o Molcas/seward.o Molcas/shell_mxdens.o Molcas/shell_mxschwz.o Molcas/shfanm.o Molcas/size_sob_g.o Molcas/slapaf.o Molcas/smadna.o Molcas/soao_g.o Molcas/socint_ls.o Molcas/socint.o Molcas/socmem.o Molcas/soctl.o Molcas/sofsh1.o Molcas/sogthr.o Molcas/sort_mck.o Molcas/sort_to_box.o Molcas/sosctt.o Molcas/sos.o Molcas/sphcar.o Molcas/sphcr1.o Molcas/sphcr2.o Molcas/sphere.o Molcas/sphint.o Molcas/sp_mltls.o Molcas/sp_mlt.o Molcas/sppp.o Molcas/srogrd_mck.o Molcas/srogrd.o Molcas/srohss.o Molcas/sroint.o Molcas/sromem.o Molcas/sromm1.o Molcas/srommg.o Molcas/sspp.o Molcas/sssp.o Molcas/ssss.o Molcas/statp.o Molcas/status.o Molcas/stblz.o Molcas/stblzr.o Molcas/stdfmt.o Molcas/strnln.o Molcas/strtch.o Molcas/supsym.o Molcas/swap_seward.o Molcas/symad1.o Molcas/symado_mck.o Molcas/symado.o Molcas/symadp_ls.o Molcas/symadp.o Molcas/symdsp.o Molcas/symfock_ls.o Molcas/sync_data.o Molcas/sync_th.o Molcas/tcrtnc_h.o Molcas/tcrtnc.o Molcas/teri1.o Molcas/teri.o Molcas/teris.o Molcas/terisq.o Molcas/term_ints.o Molcas/tetin.o Molcas/thrdo.o Molcas/timing.o Molcas/tnai1.o Molcas/tnai.o Molcas/tnsctlls.o Molcas/tnsctl.o Molcas/torsion_list.o Molcas/translation.o Molcas/transverse.o Molcas/trapab.o Molcas/traxyz.o Molcas/trcprt.o Molcas/triprt.o Molcas/trmake.o Molcas/trpgen.o Molcas/trsn.o Molcas/ts_bfgs.o Molcas/tskman.o Molcas/tstfnc.o Molcas/ttmul.o Molcas/twodns.o Molcas/twoel_g.o Molcas/twoel_ls.o Molcas/twoel_mck.o Molcas/twoel.o Molcas/uatm_functions.o Molcas/uget.o Molcas/union.o Molcas/update_H.o Molcas/update_sl.o Molcas/util1_ls.o Molcas/util1.o Molcas/util2_ls.o Molcas/util2.o Molcas/util4.o Molcas/util5.o Molcas/util6.o Molcas/util8.o Molcas/uu.o Molcas/valanm.o Molcas/vcff2d.o Molcas/veig.o Molcas/veint.o Molcas/velint.o Molcas/vemem.o Molcas/view.o Molcas/vpint.o Molcas/vpmem.o Molcas/vrys2dm.o Molcas/vrys2d.o Molcas/vrysrw.o Molcas/welint.o Molcas/welmem.o Molcas/wlbuf.o Molcas/wrinp_sl.o Molcas/wrtlbl.o Molcas/xcff2d.o Molcas/xerror.o Molcas/xfdgrd.o Molcas/xfdint.o Molcas/xfdmem.o Molcas/xfdmmg.o Molcas/xflush.o Molcas/xrys2d.o Molcas/ylmnor.o Molcas/zxia.o util/aoint_matrix.o util/aoint.o util/atdens.o util/bascop.o util/basis_check.o util/bild.o util/bit.o util/blastest.o util/blk1.o util/cfit_init.o util/checkinp.o util/check_modules.o util/chrono.o util/cidft_init.o util/cml.o util/compression.o util/compress.o util/connectivity.o util/crc.o util/dderf.o util/df_transform.o util/diabci.o util/direct_init.o util/displace.o util/dmscf_init.o util/driver.o util/drv_scf.o util/dummy.o util/eaf_molpro.o util/error.o util/expiry_warn.o util/explicit_init.o util/export.o util/extrapolate.o util/fcmlc.o util/field.o util/filass.o util/fileinfo.o util/fork.o util/gatest.o util/gecos.o util/geom.o util/getinp.o util/getmem.o util/getvar.o util/glob.o util/gmainv.o util/gparam_init.o util/gprint_init.o util/gthresh_init.o util/increments.o util/integral_interface.o util/intest.o util/iom.o util/iow_direct.o util/iow.o util/lattice_inp.o util/libmol.o util/local_init.o util/loc.o util/lsqfit.o util/maketab.o util/mctype.o util/merge.o util/modules.o util/molpro_aux.o util/molpro_help.o util/molpro_interface.o util/molpro_mem.o util/mpp_init.o util/mpptim.o util/mrcc_intface.o util/openmp.o util/ovl2bas.o util/parse.o util/parse_registry.o util/pop.o util/prepin.o util/rdabsf.o util/readcommands.o util/readdump.o util/readop.o util/read_registered_defaults.o util/read_registered_variables.o util/rebas.o util/registry.o util/restart.o util/rsjc.o util/scf_init.o util/sortva.o util/string_utils.o util/supmutil.o util/syscon.o util/sysinfo.o util/system.o util/task.o util/timing_molpro.o util/transform.o util/user.o util/userprog.o util/util.o util/utilunix.o util/wiom.o util/wiop_init.o util/wiop.o util/writedump.o util/zmat_init.o util/zmatrix.o argos/argosgr.o argos/argos.o argos/arinpgr.o argos/arinp.o argos/arone1.o argos/aronegr.o argos/arone.o argos/arpseugr.o argos/arpseu.o argos/arroot.o argos/artwo1.o argos/artwo2.o argos/artwo3.o argos/binput.o argos/initra.o argos/intface.o ccsd/absorb.o ccsd/cc3ext.o ccsd/ccabc.o ccsd/ccdiis.o ccsd/ccdtucc_loc.o ccsd/ccgradex.o ccsd/ccjext.o ccsd/cckext.o ccsd/cckint_1c.o ccsd/cckint.o ccsd/ccmp2.o ccsd/ccprop_drv.o ccsd/ccqci.o ccsd/ccsave.o ccsd/ccsd.o ccsd/ccv.o ccsd/ccys.o ccsd/cpl.o ccsd/isynpp.o ccsd/mp2dip.o ccsd/mp2pert.o ccsd/mp2pol.o ccsd/rcc3ext_ucc.o ccsd/rcckextconv.o ccsd/reserv_ccsd.o ccsd/rmp2.o ccsd/rmp2trans.o ccsd/save_dens.o ccsd/semican.o ccsd/sortkc.o ccsd/t2tran.o ccsd/triples.o ccsd/tripu.o ccsd/ucckext.o ccsd/uccsd.o ccsd/uccv.o ccsd/ump2.o cpp/cppdriv.o cpp/cpproj.o cpp/cpps.o dft/dftfun_ecerf2.o dft/dftfun_ecerfinter.o dft/dftfun_ecerflocal2.o dft/dftfun_ecerflocal.o dft/dftfun_ecerf.o dft/dftfun_ecerfpbe.o dft/dftfun_exerflocal.o dft/dftfun_exerf.o dft/dftfun_exerfpbe.o dft/dftfun.o dft/dftgrid.o dft/dftigrad.o dft/dfti.o dft/dft_matrix1.o dft/dft_matrix2.o dft/dft.o dft/dft_sapt.o dft/dftuser.o dft/dftutil.o dft/gridorb.o fci/fci2.o fci/fci.o forces/angkraft.o forces/cpfmo.o forces/cpf.o forces/forces_drv.o forces/kraft1a.o forces/kraft1b.o forces/kraft2.o forces/kraft3.o forces/krafta.o forces/kraft.o forces/optconical.o lsint/lsaoint.o lsint/lsint2.o lsint/lsint.o lsint/lsone.o lsint/lssort.o lsint/sodriver.o lsint/sortls.o mrci/ciblk.o mrci/cicc.o mrci/cicepa.o mrci/cicon.o mrci/cicontrcs.o mrci/cicontrsini.o mrci/cicore.o mrci/cid23h.o mrci/cidcp.o mrci/ciden23hc.o mrci/ciden2a_ms.o mrci/ciden2a.o mrci/ciden2_ms.o mrci/ciden2.o mrci/cidepp_ms.o mrci/cidepp.o mrci/cidflt.o mrci/cidft.o mrci/cidiia.o mrci/cidii_ms.o mrci/cidii.o mrci/cidima_ms.o mrci/cidima.o mrci/cidimz.o mrci/cidps_ms.o mrci/cidps.o mrci/cidsi_ms.o mrci/cidsi.o mrci/cidss_ms.o mrci/cidss.o mrci/ciexit.o mrci/cifile.o mrci/cifpp.o mrci/cigam23h_ms.o mrci/cigam23h.o mrci/cigam2ppi_ms.o mrci/cigam2ppi.o mrci/cigam2pp_ms.o mrci/cigampsi_ms.o mrci/cigampsi.o mrci/cigip.o mrci/cigis.o mrci/cigpi.o mrci/cigpp.o mrci/cigpq1.o mrci/cigpq2.o mrci/cigpq3.o mrci/cigps.o mrci/cigptrint.o mrci/cigptr.o mrci/cigref.o mrci/cigsi.o mrci/cigss.o mrci/cigveca.o mrci/cigvec.o mrci/cihext.o mrci/cihii.o mrci/ciinit.o mrci/ciinp.o mrci/ciint.o mrci/cikext.o mrci/cikils.o mrci/cilscc.o mrci/cilsdm.o mrci/cilsdpp.o mrci/cilsfock.o mrci/cilsii.o mrci/cils.o mrci/cimp2.o mrci/ciovpq.o mrci/cipert.o mrci/cipro.o mrci/cipt2.o mrci/ciref.o mrci/cirs2den.o mrci/cirs2exit.o mrci/cirs2grad_ms.o mrci/cirs2grad.o mrci/cirs2iic.o mrci/cirs2ii.o mrci/cirs2oviic.o mrci/cirs2ovssc.o mrci/cirs2pp.o mrci/cirs2psc.o mrci/cirs2ps.o mrci/cirs2rhs.o mrci/cirs2sic2.o mrci/cirs2sic.o mrci/cirs2ssa.o mrci/cirs2ssc.o mrci/cirs2ss.o mrci/cirs2util2.o mrci/cirs2util3.o mrci/cirs2util.o mrci/cisave.o mrci/citra_anal.o mrci/citra_borb.o mrci/citra_conf.o mrci/citra_cop.o mrci/citra_cos.o mrci/citra.o mrci/citra_prep.o mrci/citra_roi.o mrci/citra_ros.o mrci/citrdm.o mrci/citrk.o mrci/ciutil.o mrci/kext.o mrci/MultiStateCaspt2.o mrci/reservers2.o mrci/subcitrdm.o multi/muaug.o multi/mucheck.o multi/mucpnr.o multi/mucsf.o multi/mudet.o multi/mudiab.o multi/muinit.o multi/muinp1.o multi/muinp2.o multi/muint1.o multi/muint2.o multi/muio.o multi/mukint.o multi/multi.o multi/munrhlp.o multi/mupolar.o multi/muprop.o multi/musamc.o multi/musave.o multi/muutil.o multi/muwrn1.o multi/muwrn2.o multi/muwvfc.o multi/muwvfn.o opt/bfgs.o opt/bmat.o opt/bmatutil.o opt/bofill.o opt/cons.o opt/distortnew.o opt/frequencies.o opt/intc.o opt/machbnew.o opt/min2d.o opt/min2d_powell.o opt/modelopt.o opt/numgrad_mppx.o opt/numhess_mppx.o opt/opt_ak.o opt/opt_bfgs.o opt/opt_drv.o opt/opt_ds.o opt/optg.o opt/opt_qsd.o opt/opt_rf.o opt/qsd_util.o opt/rgf.o opt/rgfplug.o opt/sl_molpro.o opt/utilsrgf.o prop/cube.o prop/ddr.o prop/dma.o prop/gopenmol.o prop/nmr.o prop/propa.o prop/propb.o prop/propc.o prop/propd.o prop/prope.o prop/prop.o scf/hfma.o scf/locali.o scf/matrop.o scf/nodiag.o scf/pipekm.o scf/rhfpro.o scf/rotdiag.o scf/scfcpp.o scf/scfpr0.o scf/scfpr1.o scf/scfpr2.o scf/uhfpro.o semi/semi_ed.o semi/semi_gen.o semi/semi_int.o semi/semi_mndo.o seward/drv2el_compress.o seward/iiloc.o seward/lattice_oneel.o seward/mck_molpro.o seward/memint_seward.o seward/merge_shells.o seward/molcas_dummy.o seward/molcas_msg.o seward/molcas_vars.o seward/perm_shells.o seward/qtime.o seward/qzit.o seward/seward_essl.o seward/sew_molpro.o seward/shell_utils_molpro.o seward/wrone_molpro.o sort/aosortv.o direct/dfock.o direct/dgmat.o direct/dkext.o direct/dkexts.o direct/dkint.o direct/dmp2_driv.o direct/drv2el_dfock.o casvb/ci_cvb.o casvb/ciutil_cvb.o casvb/eis_cvb.o casvb/init_cvb.o casvb/input_cvb.o casvb/main_cvb.o casvb/molpro_cvb.o casvb/optim_cvb.o casvb/perfloc.o casvb/ploc_cvb.o casvb/serv_cvb.o casvb/struc_cvb.o casvb/symut_cvb.o local/asmbl_k.o local/buffread.o local/cc3extD_locd_cen.o local/cc3extS_locd_cen.o local/ccdomain.o local/cclocal.o local/ccmp2_gem.o local/ccmp2_loc3.o local/ccmp2_loc.o local/ccmp2_select.o local/ccmp2_ucc_loc.o local/ccpri_loc.o local/ccsd_loc.o local/center_3ext.o local/cftrans_loc.o local/df3ext_lccsd.o local/df_3ext_toolbox.o local/df_aux_eom.o local/df_lcc2lr_V1.o local/df_lcc2_util.o local/df_lcc2_V1.o local/df_lcc2_V2.o local/dftrans_lcc2.o local/dftrans_lccsd.o local/dftrans_lmp2.o local/dftrans_lmp2_r12.o local/drv_34ext_loc.o local/enepart.o local/fitmltp.o local/gemctl_drv.o local/geminal.o local/kext_4ext.o local/kijmltp.o local/locorb.o local/luccsd_util.o local/mergedom.o local/mltexp.o local/mltops.o local/mo_squeeze.o local/mxmadd.o local/nkext4ext.o local/opdom.o local/orbbatch.o local/orbdom.o local/pairdom.o local/project.o local/r12dom.o local/region.o local/rib_lcc.o local/ri_lcc.o local/ri_lmp2g.o local/rilmp2g.o local/risum_r12.o local/ri_utils.o local/rmp2_loc.o local/sav3ext_cen.o local/schwarz.o local/spinpro_loc.o lccsd/cc3ext_locd.o lccsd/cc3ext_loc.o lccsd/ccv_loc3.o lccsd/ccv_loc4.o lccsd/ccv_ucc_loc4.o lccsd/dgmat1.o lccsd/kext_3ext.o lccsd/loctripit.o lccsd/loctripl.o lccsd/loctrippt.o lccsd/loctripres.o lccsd/make_jkoper_lucc.o lccsd/rcc3ext_loc1.o lccsd/tripl3ext_cen.o lccsd/ucckext2.o lccsd/ucckext_loc.o lccsd/uccsd_loc.o dtraf/aodom.o dtraf/binsrt.o dtraf/BlkBinSort_big.o dtraf/BlkBinSort.o dtraf/dmp2en.o dtraf/dmp2.o dtraf/drv2el_full.o dtraf/drv2el_half.o dtraf/drv2el_l3ext_cen.o dtraf/drv2el_l3ext_lmp2g.o dtraf/drv2el_l3ext.o dtraf/drv2el_l4ext.o dtraf/drv2el_lccsd.o dtraf/drv2el_llmp2.o dtraf/drv2el_pgk.o dtraf/drv2el_pg.o dtraf/dtfdbg.o dtraf/dtfint2.o dtraf/dtfint.o dtraf/dtfmem.o dtraf/dtraf_3ext.o dtraf/dtraf_4ext.o dtraf/dtraf_lccsd.o dtraf/dtraf_lmp2.o dtraf/dtraf.o dtraf/dtraf_tripl.o dtraf/dtra_sort.o dtraf/lmp2g3ext_cen.o dtraf/oplist.o dtraf/sobinf_4ext.o dtraf/sobinf.o dtraf/timtra.o dtraf/unfold.o hessian/cphf_general.o hessian/cphf_hessian.o hessian/hess_cirhs.o hessian/hess_cpmcscf.o hessian/hess_filld.o hessian/hess_getdim.o hessian/hess_getovl.o hessian/hessian_drv.o hessian/hessian.o hessian/hess_intder.o hessian/hess_orbrhs.o hessian/hess_pople.o hessian/hess_start.o hessian/hess_trint.o hessian/hfmas.o hessian/hfpol.o lx/coulomb.o lx/dflhf.o lx/lhf_iter.o lx/lhf.o lx/lx.o eom/anawf.o eom/autocc.o eom/cc3ext_next.o eom/cceom_loc4.o eom/cceom_loc.o eom/cceom.o eom/ccrel.o eom/ccrel_test.o eom/ccsdp.o eom/cis.o eom/df_cckext.o eom/diagofa_loc.o eom/diagofa.o eom/dolresi.o eom/doresid_loc.o eom/doresid.o eom/eomloc.o eom/extract_loc.o eom/extract.o eom/ldip.o eom/make_S_oper.o eom/nsdavid_loc.o eom/nsdavid.o eom/opdom_eom.o eom/propag.o eom/rdip.o eom/sa0_28.o eom/sf0_49.o eom/sf50_112.o eom/util_auto.o eom/util_cc2.o eom/util_eom.o eom/xccden.o eom/xt0_31.o eom/xx0_56.o eom/xx57_82.o cfit/cfit_auto_aux.o cfit/cfit_aux.o cfit/cfit_basis.o cfit/cfit_chkden.o cfit/cfit_dftri.o cfit/cfit_dj.o cfit/cfit_early.o cfit/cfit_fock.o cfit/cfit_force.o cfit/cfit_jabc.o cfit/cfit_jabc_sh.o cfit/cfit_jab_sh.o cfit/cfit_jf_add.o cfit/cfit_jf.o cfit/cfit_lin_alg.o cfit/cfit_mdvx.o cfit/cfit.o cfit/cfit_sabc.o cfit/cfit_sabc_orb.o cfit/cfit_sab_sh.o cfit/cfit_special.o cfit/cfit_util.o cfit/risc_den.o dmscf/dmscf_big_dipole.o dmscf/dmscf_big_l.o dmscf/dmscf_big_T_sh.o dmscf/dmscf_big_v.o dmscf/dmscf_bigv_sh.o dmscf/dmscf_conj_grad.o dmscf/dmscf_contract.o dmscf/dmscf_dipoles.o dmscf/dmscf_kinetic.o dmscf/dmscf_little.o dmscf/dmscf_nrep.o dmscf/dmscf.o dmscf/dmscf_rho1.o dmscf/dmscf_stubs.o dmscf/dmscf_tables.o dmscf/dmscf_T_alpha_ao.o dmscf/dmscf_z_legacy.o dmscf/dmscf_z.o dmscf/dmscf_z_sh.o dmscf/dmscf_z_sh_v2.o dmscf/dmscf_z_spec.o dmscf/dmscf_z_tri_form.o dmscf/dmzc_outer_test.o dmscf/mth_out.o dmscf/norm_prim.o dmscf/testit.o dmscf/testitz.o blas/blas1.o blas/blas2.o blas/blas3.o blas/blas4.o blas/gamma.o blas/lapack0.o blas/lapack1.o blas/lapack2.o blas/lapack3.o blas/lapack4.o blas/matrix1.o blas/matrix_mpp.o blas/matrix.o blas/mxm3.o blas/mxm4.o blas/mxma2_nn.o blas/mxma2_nt.o blas/mxma2.o blas/mxma2_tn.o blas/mxma_mpp.o blas/mxmdgm.o blas/mxml1b.o blas/mxml1.o blas/mxml2b.o blas/mxml2.o blas/mxml3b.o blas/mxml3.o blas/mxml4b.o blas/mxml4.o blas/mxml5b.o blas/mxml5.o blas/mxml6b.o blas/mxml6.o blas/mxm.o blas/mxs.o blas/mxt.o blas/mxv.o blas/oprs.o blas/utlmar.o dalton/dalton_molpro.o basis/basis_3ei_grid.o basis/basis_3idx_batchc.o basis/basis_3idx_batch.o basis/basis_3idx_mem.o basis/basis_3idx.o basis/basis_aoinfo.o basis/basis_cen_block.o basis/basis_contract.o basis/basis_eri.o basis/basis_evaluate.o basis/basis_forces.o basis/basis_froz_gem.o basis/basis_GPT.o basis/basis_gradient_batchs.o basis/basis_integral_batchs2.o basis/basis_integral_batchs.o basis/basis_integral_shells.o basis/basis_integrals.o basis/basis_linsolve.o basis/basis.o basis/basis_pot.o basis/basis_shell_Jn.o basis/basis_sparse.o basis/kincorr.o basis/lattice_gradient.o basis/load_basis.o basis/vfi.o explicit/explicit_3el_ints.o explicit/explicit_3el_shell.o explicit/explicit_3ix.o explicit/explicit_ansatz_2.o explicit/explicit_dfmp2r12.o explicit/explicit_historical.o explicit/explicit_mp2.o explicit/explicit_ops.o explicit/explicit_r12mp2.o explicit/explicit_text_process.o explicit/explicit_util.o explicit/ritrabl.o vscf/coriolis.o vscf/extern.o vscf/selvci.o vscf/surface.o vscf/tools.o vscf/vci.o vscf/vibdrv.o vscf/viberr.o vscf/vscf.o cosmo/ansude.o cosmo/calc_pot.o cosmo/cavnuc_grd.o cosmo/consts.o cosmo/coschol1.o cosmo/coschol2.o cosmo/cosmo_basis.o cosmo/cosmo_correl.o cosmo/cosmo_gradient.o cosmo/cosmo_init.o cosmo/cosmoload_qhf.o cosmo/cosmo_oc.o cosmo/cosmo_open.o cosmo/cosmo_setamat.o cosmo/cosmo_surf.o cosmo/dvfill.o cosmo/fill_cosmo_grd1082.o cosmo/get_hfden.o cosmo/get_replgrd.o cosmo/is_irred.o cosmo/repl_pt.o cosmo/setamat.o cosmo/symfactor.o cosmo/traop_cosmo.o cosmo/writecosmo.o cosmo/writsude.o dfit/dfasmbl_coul.o dfit/dfasmbl_loc1.o dfit/dfexch.o dfit/dfmp2.o dfit/dfsort_loc.o dfit/dftrans_loc1.o dfit/dftrans_loc2.o dfit/df_utils.o dfit/rimp2.o sapt/dfdftsapt.o sapt/df_integrals.o sapt/dispersion.o sapt/gridauxorb.o sapt/integrals.o sapt/interface.o sapt/modules_sapt.o sapt/response.o sapt/ri_utils_sapt.o sapt/sapt_driver.o sapt/sapt_driv.o sapt/sapt.o sapt/utils_sapt.o qmc/qmc_main.o qmc/qmc.o nbo/nbo.o old_slapaf/old_bend.o old_slapaf/old_dbcopy.o old_slapaf/old_dcr.o old_slapaf/old_ddv.o old_slapaf/old_inter.o old_slapaf/old_nonsym.o old_slapaf/old_nred2.o old_slapaf/old_nred.o old_slapaf/old_nxtwrd.o old_slapaf/old_recprt.o old_slapaf/old_strtch.o old_slapaf/old_triprt.o old_slapaf/old_trsn.o old_slapaf/old_union.o ;\ true ../lib/libmolpro.a make[2]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src' make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/src' link date: 5 Dec 2005 17:49:37 ; version: 2002.10 Patch level: 411 molver.f: compiling ... done linking /ab/molpro-2002_10/test/3/bin/molpros_2002_10_i8.exe link done A skeleton molpro configuration file has been set up in /ab/molpro-2002_10/test/3/bin/molpros_2002_10_i8.rc It contains the following: -d/tmp/$LOGNAME # directory in which the program should be run -I/tmp/$LOGNAME # directory to store permanent copies of int files (1) -W$HOME/wfu # directory to store permanent copies of wf files (2,3) -L/ab/molpro-2002_10/test/3/lib/ # directory containing library files -x/ab/molpro-2002_10/test/3/bin/molpros_2002_10_i8.exe # executable -m8000000 # default memory in 8-byte words -K131072 # mxma cache size in 8-byte words -B64 # mxma blocking size --environment MOLPRO_BLASLIB=atlas Please check it, and add options according to the molpro command description make -C utilities cnvrt.exe make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/utilities' loc.c: compiling ... done rdabsf.c: compiling ... done timing_molpro.c: compiling ... done cnvrt.F: preprocessing ... compiling ... done linking cnvrt.exe make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/utilities' make[1]: Entering directory `/comp/ab/molpro-2002_10/test/3/lib' ./bas2index basis.bas make[1]: Leaving directory `/comp/ab/molpro-2002_10/test/3/lib'