[ase-users] Problem installing Dacapo on Ubuntu 10.10

c cook csecook at gmail.com
Wed Mar 23 19:43:16 CET 2011


Hello to all,

I've already installed the ASE environment which has already a built in
interface, the jacapo. I am trying to install dacapo as well (the system is
Ubuntu 10.10)

For now I am struggling with the serial version, I thought that I set all
the necessary  environment variables for NETCDF and FFTW, but at some point
the after "make gfortran_fsecond_underscore" the process stops and gives me
the error you can see below.

Any ideas why it stops with all those "undefined reference" errors?
Thank you,
Csaba



gfortran -O3 -fsecond-underscore -fPIC -fconvert=big-endian
-frecord-marker=4 -DFFTW -DQRAD_SWAP -DINTELLINUX -DGFORTRAN -o dacapo.run
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o
../netcdf/gfortran_fsecond_underscore/MakeRestrictedSetCopy.o
 ../gfortran_fsecond_underscore_serial/basicdata.o run_context.o
van_us_data_module.o generate_kpoints.o  read_structure_netcdf.o bastr.o
 chdop.o  efertr.o  mach.o fexcop.o genbop.o nlproj.o orthop.o wfinop.o
density_mixing.o setuop.o ionmov.o ion_conjgrad.o gen_coord.o auxmod.o
potion.o fft3d2.o forloc.o calvps.o inidir.o eferop.o eisdia.o dipole.o
kptana.o resmin.o corec.o pulay.o davidson.o qrutil.o gen_orthop.o qvan2.o
setuspot.o us_calcqr.o us_hpsi.o us_newd.o ylmr2.o gk_sort.o rmm_diss.o
wfcinit.o potinit.o us_force.o erfc.o eigsolve.o subproj.o bfgs.o tmp_read.o
matrix_utilities.o fftdimensions.o ewald_module.o dacapo.o
update_netcdf_history_module.o double_grid.o real_nonlocal.o applyh.o
angula.o stress.o madelung.o blochlmodule.o external_pot_module.o
 addusdens.o pbe.o pbeunsp.o pw.o pwunsp.o  symana.o mulcen.o
gen_hamiltonian_matrix.o damden.o libtos.o
 ../blas/gfortran_fsecond_underscore/libmyblas.a -L/usr/lib64 -lblas
-llapack /usr/local/lib/libnetcdf.a
/usr/local/fftw2-2.1.5-1.gfortran/lib/libfftw.a
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_local_error_handler':
netcdfinterface.F:(.text+0xa5e): undefined reference to `nf_strerror__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfsetmode':
netcdfinterface.F:(.text+0x1573): undefined reference to `nf_enddef__'
netcdfinterface.F:(.text+0x15b3): undefined reference to `nf_redef__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfgetglobaldim':
netcdfinterface.F:(.text+0x1870): undefined reference to `nf_inq_dimid__'
netcdfinterface.F:(.text+0x1899): undefined reference to `nf_inq_dimlen__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfputglobaldim':
netcdfinterface.F:(.text+0x1c17): undefined reference to `nf_def_dim__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfdefvar':
netcdfinterface.F:(.text+0x21b6): undefined reference to `nf_inq_dimid__'
netcdfinterface.F:(.text+0x21fb): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x23bd): undefined reference to `nf_inq_var__'
netcdfinterface.F:(.text+0x25ec): undefined reference to `nf_def_var__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfgetvardim':
netcdfinterface.F:(.text+0x2b0d): undefined reference to `nf_inq_varndims__'
netcdfinterface.F:(.text+0x2d5d): undefined reference to `nf_inq_vardimid__'
netcdfinterface.F:(.text+0x2fdf): undefined reference to `nf_inq_dimlen__'
netcdfinterface.F:(.text+0x3417): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x34d0): undefined reference to `nf_inq_attlen__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfget_int':
netcdfinterface.F:(.text+0x43ae): undefined reference to `nf_get_var1_int__'
netcdfinterface.F:(.text+0x456f): undefined reference to `nf_get_vara_int__'
netcdfinterface.F:(.text+0x4615): undefined reference to `nf_get_var_int__'
netcdfinterface.F:(.text+0x4670): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x471e): undefined reference to `nf_get_att_int__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfget_real':
netcdfinterface.F:(.text+0x6ece): undefined reference to
`nf_get_var1_real__'
netcdfinterface.F:(.text+0x708f): undefined reference to
`nf_get_vara_real__'
netcdfinterface.F:(.text+0x7135): undefined reference to `nf_get_var_real__'
netcdfinterface.F:(.text+0x7190): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x723e): undefined reference to `nf_get_att_real__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfget_double':
netcdfinterface.F:(.text+0x9a3e): undefined reference to
`nf_get_var1_double__'
netcdfinterface.F:(.text+0x9bff): undefined reference to
`nf_get_vara_double__'
netcdfinterface.F:(.text+0x9ca5): undefined reference to
`nf_get_var_double__'
netcdfinterface.F:(.text+0x9d00): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x9dae): undefined reference to
`nf_get_att_double__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfget_rank0_text':
netcdfinterface.F:(.text+0xc5b6): undefined reference to
`nf_get_var1_text__'
netcdfinterface.F:(.text+0xc77a): undefined reference to
`nf_get_vara_text__'
netcdfinterface.F:(.text+0xc824): undefined reference to `nf_get_var_text__'
netcdfinterface.F:(.text+0xc880): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0xc936): undefined reference to `nf_get_att_text__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfput_int':
netcdfinterface.F:(.text+0xd971): undefined reference to `nf_put_att_int__'
netcdfinterface.F:(.text+0xda28): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0xdd65): undefined reference to `nf_put_var1_int__'
netcdfinterface.F:(.text+0xe09a): undefined reference to `nf_put_vara_int__'
netcdfinterface.F:(.text+0xe140): undefined reference to `nf_put_var_int__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfput_text':
netcdfinterface.F:(.text+0x115e6): undefined reference to
`nf_put_att_text__'
netcdfinterface.F:(.text+0x11698): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x119dd): undefined reference to
`nf_put_var1_text__'
netcdfinterface.F:(.text+0x11d1a): undefined reference to
`nf_put_vara_text__'
netcdfinterface.F:(.text+0x11dc7): undefined reference to
`nf_put_var_text__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfput_real':
netcdfinterface.F:(.text+0x12e0c): undefined reference to
`nf_put_att_real__'
netcdfinterface.F:(.text+0x12ec0): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x131fd): undefined reference to
`nf_put_var1_real__'
netcdfinterface.F:(.text+0x13532): undefined reference to
`nf_put_vara_real__'
netcdfinterface.F:(.text+0x135d8): undefined reference to
`nf_put_var_real__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_nfput_double':
netcdfinterface.F:(.text+0x16a7c): undefined reference to
`nf_put_att_double__'
netcdfinterface.F:(.text+0x16b30): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x16e6d): undefined reference to
`nf_put_var1_double__'
netcdfinterface.F:(.text+0x171a2): undefined reference to
`nf_put_vara_double__'
netcdfinterface.F:(.text+0x17248): undefined reference to
`nf_put_var_double__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_copy_netcdf_varattributes':
netcdfinterface.F:(.text+0x19c2c): undefined reference to
`nf_inq_varnatts__'
netcdfinterface.F:(.text+0x19d19): undefined reference to `nf_copy_att__'
netcdfinterface.F:(.text+0x19d5b): undefined reference to `nf_inq_attname__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_has_unlimited_dimension':
netcdfinterface.F:(.text+0x19f41): undefined reference to
`nf_inq_varndims__'
netcdfinterface.F:(.text+0x19f7b): undefined reference to
`nf_inq_vardimid__'
netcdfinterface.F:(.text+0x19f8a): undefined reference to
`nf_inq_unlimdim__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_copy_netcdf_vardef':
netcdfinterface.F:(.text+0x1a042): undefined reference to `nf_inq_varname__'
netcdfinterface.F:(.text+0x1a066): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x1a4ca): undefined reference to `nf_inq_varid__'
netcdfinterface.F:(.text+0x1a631): undefined reference to
`nf_inq_varndims__'
netcdfinterface.F:(.text+0x1a6e2): undefined reference to `nf_inq_var__'
netcdfinterface.F:(.text+0x1a7a3): undefined reference to `nf_inq_dimid__'
netcdfinterface.F:(.text+0x1a7f5): undefined reference to `nf_inq_dimname__'
netcdfinterface.F:(.text+0x1a95f): undefined reference to `nf_def_var__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_get_nfvar_info':
netcdfinterface.F:(.text+0x1ad92): undefined reference to
`nf_inq_varndims__'
netcdfinterface.F:(.text+0x1aee3): undefined reference to
`nf_inq_vardimid__'
netcdfinterface.F:(.text+0x1afbf): undefined reference to `nf_inq_dimlen__'
netcdfinterface.F:(.text+0x1b040): undefined reference to `nf_inq_vartype__'
netcdfinterface.F:(.text+0x1b30b): undefined reference to `nf_inq_dimlen__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_transfer_netcdf_variable':
netcdfinterface.F:(.text+0x1b501): undefined reference to
`nf_get_var_double__'
netcdfinterface.F:(.text+0x1b53e): undefined reference to
`nf_put_vara_double__'
netcdfinterface.F:(.text+0x1b60d): undefined reference to
`nf_get_var_int1__'
netcdfinterface.F:(.text+0x1b64a): undefined reference to
`nf_put_vara_int1__'
netcdfinterface.F:(.text+0x1b72a): undefined reference to
`nf_get_var_text__'
netcdfinterface.F:(.text+0x1b76d): undefined reference to
`nf_put_vara_text__'
netcdfinterface.F:(.text+0x1b848): undefined reference to
`nf_get_var_int2__'
netcdfinterface.F:(.text+0x1b885): undefined reference to
`nf_put_vara_int2__'
netcdfinterface.F:(.text+0x1b961): undefined reference to `nf_get_var_int__'
netcdfinterface.F:(.text+0x1b99e): undefined reference to
`nf_put_vara_int__'
netcdfinterface.F:(.text+0x1ba79): undefined reference to
`nf_get_var_real__'
netcdfinterface.F:(.text+0x1bab6): undefined reference to
`nf_put_vara_real__'
../netcdf/gfortran_fsecond_underscore/netcdfinterface.o: In function
`__netcdfinterface_MOD_copy_netcdf_variable':
netcdfinterface.F:(.text+0x1c306): undefined reference to `nf_inq_varid__'
../netcdf/gfortran_fsecond_underscore/MakeRestrictedSetCopy.o: In function
`makerestrictedsetcopy_':
MakeRestrictedSetCopy.F:(.text+0x322): undefined reference to `nf_open__'
MakeRestrictedSetCopy.F:(.text+0x44f): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x4ff): undefined reference to `nf_create__'
MakeRestrictedSetCopy.F:(.text+0x62c): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x6d9): undefined reference to `nf_inq__'
MakeRestrictedSetCopy.F:(.text+0xafb): undefined reference to `nf_inq_dim__'
MakeRestrictedSetCopy.F:(.text+0xb7c): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0xdac): undefined reference to
`nf_inq_varndims__'
MakeRestrictedSetCopy.F:(.text+0xe66): undefined reference to `nf_inq_var__'
MakeRestrictedSetCopy.F:(.text+0xf97): undefined reference to `nf_close__'
MakeRestrictedSetCopy.F:(.text+0xfb2): undefined reference to `nf_close__'
MakeRestrictedSetCopy.F:(.text+0x1083): undefined reference to
`nf_def_dim__'
MakeRestrictedSetCopy.F:(.text+0x11cc): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x1381): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x1676): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x183e): undefined reference to
`nf_def_var__'
MakeRestrictedSetCopy.F:(.text+0x1997): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x1afa): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x1c03): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x1c79): undefined reference to
`nf_strerror__'
MakeRestrictedSetCopy.F:(.text+0x1ddf): undefined reference to
`nf_strerror__'
generate_kpoints.o: In function
`__generate_kpoints_MOD_generate_bz_kpoints':
generate_kpoints.F:(.text+0x1d51): undefined reference to `nf_open__'
generate_kpoints.F:(.text+0x1fcd): undefined reference to `nf_close__'
read_structure_netcdf.o: In function
`__read_structure_netcdf_module_MOD_read_structure':
read_structure_netcdf.F:(.text+0x22db): undefined reference to `nf_open__'
read_structure_netcdf.F:(.text+0x3901): undefined reference to `nf_close__'
genbop.o: In function `__g_vectors_MOD_genbop':
genbop.F:(.text+0x1d02): undefined reference to `nf_open__'
genbop.F:(.text+0x2079): undefined reference to `nf_close__'
nlproj.o: In function `get_pspotfile__':
nlproj.F:(.text+0x266): undefined reference to `nf_open__'
nlproj.F:(.text+0x68b): undefined reference to `nf_close__'
wfinop.o: In function `els_potential_put__':
wfinop.F:(.text+0x7a6): undefined reference to `nf_open__'
wfinop.F:(.text+0xae7): undefined reference to `nf_close__'
wfinop.o: In function `potential_put__':
wfinop.F:(.text+0xce4): undefined reference to `nf_open__'
wfinop.F:(.text+0x1027): undefined reference to `nf_close__'
wfinop.o: In function `netcdf_write_ensemble_energies__':
wfinop.F:(.text+0x1121): undefined reference to `nf_open__'
wfinop.F:(.text+0x123f): undefined reference to `nf_close__'
wfinop.o: In function `netcdf_write_becp__':
wfinop.F:(.text+0x156f): undefined reference to `nf_open__'
wfinop.F:(.text+0x28fb): undefined reference to `nf_close__'
wfinop.o: In function `density_get__':
wfinop.F:(.text+0x2a46): undefined reference to `nf_open__'
wfinop.F:(.text+0x2b33): undefined reference to `nf_close__'
wfinop.o: In function `density_put__':
wfinop.F:(.text+0x2c26): undefined reference to `nf_open__'
wfinop.F:(.text+0x2f87): undefined reference to `nf_close__'
wfinop.o: In function `netcdf_write_wf__':
wfinop.F:(.text+0x319e): undefined reference to `nf_open__'
wfinop.F:(.text+0x37e3): undefined reference to `nf_close__'
wfinop.o: In function `getwf_netcdf__':
wfinop.F:(.text+0x3f33): undefined reference to `nf_close__'
wfinop.F:(.text+0x3fc3): undefined reference to `nf_open__'
density_mixing.o: In function
`__density_mixing_module_MOD_density_mix_init':
density_mixing.F:(.text+0x637): undefined reference to `nf_open__'
density_mixing.F:(.text+0x16cd): undefined reference to `nf_close__'
setuop.o: In function `setuop_':
setuop.F:(.text+0xf4): undefined reference to `nf_open__'
setuop.F:(.text+0x3f1f): undefined reference to `nf_close__'
ionmov.o: In function `externalmotion_script__':
ionmov.F:(.text+0x1af): undefined reference to `nf_open__'
ionmov.F:(.text+0xcd8): undefined reference to `nf_close__'
fft3d2.o: In function `fft3d_':
fft3d2.F:(.text+0x12b): undefined reference to `fftwnd_f77_one__'
fft3d2.F:(.text+0x189): undefined reference to `fftwnd_f77_one__'
fft3d2.F:(.text+0x272): undefined reference to `fftw3d_f77_create_plan__'
fft3d2.F:(.text+0x29b): undefined reference to `fftw3d_f77_create_plan__'
eferop.o: In function `setoccupation_':
eferop.F:(.text+0x8c0): undefined reference to `nf_open__'
dipole.o: In function `save_dipole_restart_info__':
dipole.F:(.text+0xfca): undefined reference to `nf_open__'
dipole.F:(.text+0x1067): undefined reference to `nf_close__'
kptana.o: In function `__kp_analysis_MOD_write_kpts':
kptana.F:(.text+0x1fa0): undefined reference to `nf_open__'
kptana.F:(.text+0x25c8): undefined reference to `nf_close__'
potinit.o: In function `potinit_':
potinit.F:(.text+0x30f): undefined reference to `nf_open__'
potinit.F:(.text+0x7a6): undefined reference to `nf_close__'
tmp_read.o: In function `__tmp_read_netcdf_module_MOD_tmp_read':
tmp_read.F:(.text+0x151): undefined reference to `nf_open__'
tmp_read.F:(.text+0x658): undefined reference to `nf_close__'
tmp_read.F:(.text+0xb29): undefined reference to `nf_open__'
tmp_read.F:(.text+0xb7b): undefined reference to `nf_close__'
fftdimensions.o: In function `__fftdimensions_MOD_setup_fft_grid':
fftdimensions.F:(.text+0x621): undefined reference to `nf_open__'
fftdimensions.F:(.text+0xbea): undefined reference to `nf_close__'
fftdimensions.F:(.text+0x11a0): undefined reference to `nf_open__'
fftdimensions.F:(.text+0x12d9): undefined reference to `nf_close__'
update_netcdf_history_module.o: In function
`__update_netcdf_history_module_MOD_update_netcdf_history':
update_netcdf_history_module.F:(.text+0x754): undefined reference to
`nf_open__'
update_netcdf_history_module.F:(.text+0xd1e): undefined reference to
`nf_open__'
update_netcdf_history_module.F:(.text+0x33ab): undefined reference to
`nf_close__'
angula.o: In function `anguwr_':
angula.F:(.text+0x222e): undefined reference to `nf_open__'
angula.F:(.text+0x2678): undefined reference to `nf_close__'
stress.o: In function `__stress_module_MOD_get_total_stress':
stress.F:(.text+0x7f11): undefined reference to `nf_open__'
stress.F:(.text+0x8019): undefined reference to `nf_close__'
blochlmodule.o: In function `__blochlmodule_MOD_read_input':
blochlmodule.F:(.text+0x1bda): undefined reference to `nf_open__'
blochlmodule.F:(.text+0x1c63): undefined reference to `nf_close__'
blochlmodule.o: In function `__blochlmodule_MOD_write_ptch':
blochlmodule.F:(.text+0x531c): undefined reference to `nf_open__'
blochlmodule.F:(.text+0x54e7): undefined reference to `nf_close__'
external_pot_module.o: In function
`__external_pot_module_MOD_read_potential':
external_pot_module.F:(.text+0x97): undefined reference to `nf_open__'
addusdens.o: In function `wannier_':
addusdens.F:(.text+0x809): undefined reference to `nf_open__'
addusdens.F:(.text+0xca3): undefined reference to `nf_close__'
symana.o: In function `dump_symgen__':
symana.F:(.text+0x1d3d): undefined reference to `nf_open__'
symana.F:(.text+0x1fc7): undefined reference to `nf_close__'
mulcen.o: In function `__multicenter_projection_module_MOD_mulcwr':
mulcen.F:(.text+0xad1): undefined reference to `nf_close__'
mulcen.F:(.text+0xb3e): undefined reference to `nf_open__'
mulcen.o: In function `__multicenter_projection_module_MOD_init':
mulcen.F:(.text+0x1cd9): undefined reference to `nf_open__'
gen_hamiltonian_matrix.o: In function `gen_hamiltonian_matrix__':
gen_hamiltonian_matrix.F:(.text+0x54c): undefined reference to `nf_open__'
gen_hamiltonian_matrix.F:(.text+0x7be): undefined reference to `nf_close__'
collect2: ld returned 1 exit status
make[2]: *** [dacapo.run] Error 1
make[2]: Leaving directory
`/home/csaba/Apps/dacapo/src/gfortran_fsecond_underscore_serial'
make[1]: *** [serial] Error 2
make[1]: Leaving directory `/home/csaba/Apps/daca
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