[Pw_forum] Re: Compilation Problem

[Axel Kohlmeyer]

On Thu, 7 Dec 2006, Fengjie Ma wrote:

FM> Hi Paolo,
FM> 
FM>      Thanks again for your help. When I removed "ntyp => nsp," and replaced
FM> "ntyp" with "nsp" in PW/read_file.f90, the compilation is ok,
FM> But the fourth error appears in the last step:

you have to do a 'make clean' after all changes to make.sys and
similar files. the error you report usually only happens, if
you did not do that.

please keep in mind, that you are trying to compile the code
with an non standard-conformant, outdated compiler an outdated
MKL library and probably with an outdated OS.

even if you get the code compiled, i would _highly_ recommend
to check _very_ carefully whether you get correct results.
installing the current intel itanium compiler would have
been _much_ less trouble...

axel.

FM> 
FM> mpif90  -o pw.x \        pwscf.o ../Modules/atom.o ../Modules/autopilot.o
FM> ../Modules/basic_algebra_routines.o ../Modules/berry_phase.o
FM> ../Modules/bfgs_module.o ../Modules/cell_base.o ../Modules/check_stop.o
FM> ../Modules/clocks.o ../Modules/constants.o ../Modules/constraints_module.o
FM> ../Modules/control_flags.o ../Modules/electrons_base.o ../Modules/fft_base.o
FM> ../Modules/fft_scalar.o ../Modules/fft_types.o ../Modules/functionals.o
FM> ../Modules/input_parameters.o ../Modules/io_files.o ../Modules/io_global.o
FM> ../Modules/ions_base.o ../Modules/ions_nose.o ../Modules/kind.o
FM> ../Modules/mp_global.o ../Modules/mp_wave.o ../Modules/mp.o
FM> ../Modules/metadyn_base.o ../Modules/metadyn_io.o ../Modules/metadyn_vars.o
FM> ../Modules/path_base.o ../Modules/path_formats.o ../Modules/path_variables.o
FM> ../Modules/path_opt_routines.o ../Modules/path_io_routines.o
FM> ../Modules/path_reparametrisation.o ../Modules/parallel_include.o
FM> ../Modules/parameters.o ../Modules/parser.o ../Modules/printout_base.o
FM> ../Modules/pseudo_types.o ../Modules/ptoolkit.o ../Modules/random_numbers.o
FM> ../Modules/read_cards.o ../Modules/read_namelists.o ../Modules/read_upf.o
FM> ../Modules/read_uspp.o ../Modules/recvec.o ../Modules/shmem_include.o
FM> ../Modules/splinelib.o ../Modules/stick_base.o ../Modules/task_groups.o
FM> ../Modules/timestep.o ../Modules/uspp.o ../Modules/version.o
FM> ../Modules/wavefunctions.o ../Modules/wave_base.o ../Modules/xml_io_base.o
FM> libpw.a ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a
FM> -lmkl_lapack -L/soft/mkl61/lib/64/ -lmkl_ipf -lguide -lpthread
FM> -L/soft/mpi_intel/lib/ -lmpif90 -lmpi -lfmpi
FM> ld: Warning: size of symbol `MODULE$control_flags_1' changed from 196 to 492
FM> in ../Modules/control_flags.o
FM> ld: Warning: size of symbol `MODULE$reciprocal_vectors_1' changed from 352
FM> to 1016 in ../Modules/recvec.o
FM> ../Modules/berry_phase.o: In function `berry_phase$$ln_setup_':
FM> ../Modules/berry_phase.o(.text+0xd2): undefined reference to `ln_alloc_'
FM> ../Modules/berry_phase.o(.text+0x212): undefined reference to `ln_set_'
FM> ../Modules/berry_phase.o(.text+0x232): undefined reference to `ln_activate_'
FM> ../Modules/berry_phase.o: In function `berry_phase$$ln_closeup_':
FM> ../Modules/berry_phase.o(.text+0x322): undefined reference to `ln_dealloc_'
FM> ../Modules/berry_phase.o: In function `berry_phase$$indi_of_ig_':
FM> ../Modules/berry_phase.o(.text+0x61c2): undefined reference to `ln_ind_'
FM> ../Modules/berry_phase.o(.text+0x6362): undefined reference to `ln_ind_'
FM> ../Modules/berry_phase.o(.text+0x63e2): undefined reference to `ln_ind_'
FM> ../Modules/berry_phase.o(.text+0x6452): undefined reference to `ln_ind_'
FM> ../Modules/berry_phase.o(.text+0x6572): undefined reference to `ln_ind_'
FM> ../Modules/berry_phase.o(.text+0x6602): more undefined references to
FM> `ln_ind_' follow
FM> make[1]: *** [pw.x] Error 1
FM> make[1]: Leaving directory `/home.snfs/fjma/pw3.2/espresso-3.2/PW'
FM> make: *** [pw] Error 2
FM> 
FM> Yours,
FM> Ma
FM> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.