help me: compile undefined reference ...

[Luca]

You should report all details for a correct ansewer.
Anyway the problem is the same and it relies on an inconsistency
in adding a trailing undescore in the object file name.
By default, ifort add a trailing underscore, therefore you do not have
problems to compile the cp2k.sopt serial version.
When you  use mpif90, mpicc gcc icc ifort etc. to compile libraries
and cp2k.popt parallel
version, you should check consistency of the compiler options.
In your case I suggest you check underscore compatibility.
you should see also in mpi and ifort manuals.
In this mailing list there are a some notes for g95 compiler.
If you have problem with ifort, you can follow these notes.
good luck

> Thanks, but there is no further information searching the mailing
> list. While in my SLmake.in file of compiling scalapack, there has
> F77           = /home/zhang/software/cp2k/intel/mpich2-ifort/bin/
> mpif90
> CC            = /home/zhang/software/cp2k/intel/mpich2-ifort/bin/mpicc
> NOOPT         =  -mp
> F77FLAGS      =  $(NOOPT) -O3
> CCFLAGS       = -O3
> SRCFLAG       =
> F77LOADER     = $(F77)
> CCLOADER      = $(F77)
> F77LOADFLAGS  =
> CCLOADFLAGS   =  -nofor_main
>
> CDEFS         = -DNO_IEEE $(USEMPI) -DAdd_
>
> ARCH          = ar
> ARCHFLAGS     = cr
> RANLIB        = /usr/bin/ranlib
>
> Since the compile error message is so long that I miss some beginning
> part, I noticed that the lib files, libcp2k_base_lib.a
> libcp2k_fft_lib.a  libcp2k_lib.a,  generated in CP2K/lib/Linux-x86-64-
> intel/popt/ also have the undefined reference problems. Such as:
>
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_types.o): In function
> `kg_gpw_fm_mol_types_mp_kg_gpw_fm_mol_to_fm_mol_':
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_types.F:(.text+0xf48): undefined reference to `dcopy_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_utils.o): In function
> `kg_gpw_fm_mol_utils_mp_read_mo_mol_restart_':
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x740): undefined reference to `dcopy_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x79f): undefined reference to `dcopy_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x7fe): undefined reference to `dcopy_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x222f): undefined referenceto `dcopy_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_utils.o):/home/zhang/
> software/cp2k/intel/test/cp2k/makefiles/../src/kg_gpw_fm_mol_utils.F:
> (.text+0x2371): more undefined references to `dcopy_' follow
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_utils.o): In function
> `kg_gpw_fm_mol_utils_mp_mol_mo_random_':
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x79f1): undefined referenceto `dlarnv_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_utils.o): In function
> `kg_gpw_fm_mol_utils_mp_fm_mol_syevx_':
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x7b8a): undefined referenceto `dlamch_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x7e40): undefined referenceto `ilaenv_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x7e86): undefined referenceto `ilaenv_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x8277): undefined referenceto `dsyevx_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_utils.o): In function
> `kg_gpw_fm_mol_utils_mp_fm_mol_syevd_':
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x8c9a): undefined referenceto `dsyevd_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x8d07): undefined referenceto `dcopy_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../lib/Linux-
> x86-64-intel/popt/libcp2k_lib.a(kg_gpw_fm_mol_utils.o): In function
> `kg_gpw_fm_mol_utils_mp_fm_mol_power_':
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x9181): undefined referenceto `dlamch_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x9500): undefined referenceto `ilaenv_'
> /home/zhang/software/cp2k/intel/test/cp2k/makefiles/../src/
> kg_gpw_fm_mol_utils.F:(.text+0x9547): undefined referenceto `ilaenv_'
>
> Zhang