Hi,
I've tried to build Amber9 to IBM POWER 4 machine with AIX 5.2 but I can not!
There are the errors we got during the compilation:
Following the steps below:
./configure xlf90_aix
make serial
we get the error:
Target "mexit.o" is up to date.
xlf90 -qfree=f90 -o ambmask ambmask.o findmask.o amopen.o ../lib/mexit.o ../lib/nxtsec.o -L/usr/lib -lmassv -L/usr/lib -lblas
xlf90 -qfree=f90 -o sander.PIMD parms.o constants.o qmmm_module.PIMD.o qm_link_atoms.PIMD.o qm_nb_list.PIMD.o qm_mm.PIMD.o pimd_vars.PIMD.o pimd_init.PIMD.o pimd_force.PIMD.o dynlib.PIMD.o ew_force.PIMD.o force.PIMD.o mdread.PIMD.o nonbond_list.PIMD.o rdparm.PIMD.o runmd.PIMD.o sander.PIMD.o short_ene.PIMD.o ew_setup.PIMD.o trace.o lmod.o decomp.o icosasurf.o egb.PIMD.o findmask.o pb_force.o pb_exmol.o pb_mpfrc.o pb_direct.o pb_list.o np_force.o sa_driver.o relax_mat.o nmr.LES.o multisander.o trajene.o cshf.o nmrcal.o pearsn.o printe.o runmin.o locmem.LES.o getcor.o degcnt.LES.o decnvh.o fastwt.o parallel.PIMD.o shake.o ene.PIMD.o mdwrit.o minrit.o set.o mdfil.o nmlsrc.o ew_box.o ew_bspline.o ew_fft.o ew_recip.LES.o pcshift.o align.o stack.o rfree.o rgroup.o random.o amopen.o debug.o ew_recip_reg.o ew_handle_dips.o ew_dipole_recip.o mexit.o new_time.o extra_pts.LES.o thermo_int.o matinv.o assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o constantph.o prn_dipoles.o ips.o sglds.o qm_zero_charges.o qm_print_info.o qm_assign_atom_types.o qm_gb.o qm_ewald.o qm_extract_coords.o qm2_allocate_e_repul.o qm2_calc_charges.o qm2_calc_rij_and_eqns.o qm2_dihed.o qm2_energy.o qm2_fock.o qm2_get_qm_forces.o qm2_get_qmmm_forces.o qm2_h1elec.o qm2_hcore_qmqm.o qm2_hcore_qmmm.o qm2_identify_peptide_links.o qm2_load_params_and_allocate.o qm2_repp.o qm2_rotate_qmqm.o qm2_scf.o qm2_setup_orb_exp.o qm2_smallest_number.o qm2_dftb_module.o qm2_dftb_broyden.o qm2_dftb_dispersion_egr.o qm2_dftb_dispersion_params.o qm2_dftb_dispersionread.o qm2_dftb_eglcao.o qm2_dftb_energy.o qm2_dftb_ewevge.o qm2_dftb_externalchgrad.o qm2_dftb_externalshift.o qm2_dftb_fermi.o qm2_dftb_forces.o qm2_dftb_gamma.o qm2_dftb_gammamat.o qm2_dftb_get_qmmm_forces.o qm2_dftb_gettab.o qm2_dftb_load_params.o qm2_dftb_long_range.o qm2_dftb_main.o qm2_dftb_my_gradient.o qm2_dftb_my_mulliken.o qm2_dftb_repulsiv.o qm2_dftb_self.o qm2_dftb_shift.o qm2_dftb_short_range.o qm2_dftb_skpar.o qm2_dftb_slkode.o qm2_dftb_slktrafo.o is_init.o amoeba_valence.o amoeba_multipoles.o amoeba_recip.o amoeba_interface.o amoeba_direct.o amoeba_mdin.o amoeba_adjust.o amoeba_self.o amoeba_vdw.o amoeba_induced.o amoeba_runmd.o bintraj.o spatial_recip.o spatial_fft.o evb_vars.o evb_input.o evb_init.o evb_alloc.o evb_dealloc.o check_input.o evb_io.o evb_keywrd.o exchange_CM.o evb_mcp.o evb_force.o diabatic.o evb_2stdebug.o egap_umb_2stdebug.o exchange_gauss.o exchange_warshel.o morsify.o morse_anal2num.o evb_matrix.PIMD.o evb_ntrfc.PIMD.o evb_pimd_init.PIMD.o out_evb.PIMD.o ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a -L/usr/lib -lmassv -L/usr/lib -lblas
/bin/mv sander sander.LES ambmask sander.PIMD ../../exe
cd ptraj; make install
xlc -c -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2 -DCLINK_PLAIN -o analyze.o analyze.c
"analyze.c", line 470.70: 1506-046 (S) Syntax error.
"analyze.c", line 471.25: 1506-282 (S) The type of the parameters must be specified in a prototype.
"analyze.c", line 471.22: 1506-343 (S) Redeclaration of safe_malloc differs from previous declaration on line 65 of "utility.h".
"analyze.c", line 471.22: 1506-050 (I) Return type "double*" in redeclaration is not compatible with the previous return type "void*".
"analyze.c", line 471.15: 1506-275 (S) Unexpected text 'double' encountered.
"analyze.c", line 474.26: 1506-046 (S) Syntax error.
"analyze.c", line 474.29: 1506-045 (S) Undeclared identifier get.
"analyze.c", line 479.26: 1506-046 (S) Syntax error.
"analyze.c", line 493.9: 1506-046 (S) Syntax error.
make: 1254-004 The error code from the last command is 1.
Stop.
make: 1254-004 The error code from the last command is 2.
Stop.
Thank you very much for your help,
Looking forward to hearing from you,
Sebastien Kozlowskyj
********************************************************************************
Sébastien Kozlowskyj
Administrateur Système
Service de Chimie des Matériaux Nouveaux
Centre de Recherche en Electronique et Photonique Moléculaires
Université de Mons-Hainaut
Place du Parc, 20
B-7000 Mons (Belgique)
e-mail: kseb.averell.umh.ac.be
Tel.: ++32-(0)65-373866
Fax: ++32-(0)65-373861
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Received on Sun Jul 22 2007 - 06:07:04 PDT
