error when make Linux-x86-64-g95.popt

[Axel]

On Jan 16, 8:28 pm, lifj <yon... at gmail.com> wrote:
> Hi, every body
>
>    These days I have been compiling the cp2k program, and I have never
> got a successful compilation until now.
>    First of all, I downloaded the cp2k.tar.gz on 2009-1-14th, to make
> sure it is the newest version.
>    secondly, I compiled the  libraries needed with g95, including
> lapack, libinit, fftw3, blas, scalapack, atlas, mpich2-1.0.7,
> mpiblacs.

first step: don't do everything at once.
i.e. first you should compile a serial version.

second, you should read the respective documentation
of the packages. e.g. if you have atlas, you do not need blas.

finally, libint is only required for hybrid functionals,
which is a somewhat experimental feature, and adds extra
complications to the compilation process, so you should
first try compiling without.


[...]

>    This is the arch file of Linux-x86-64-g95.popt:
> CC       = cc
> CPP      =
> FC       = mpif90
> LD       = mpif90
> AR       = ar -r
> DFLAGS   = -D__G95 -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
> D__FFTW3 -D__LIBINT
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(G95_INC) -ffree-form -O2 -ffast-math -
> march=opteron -cpp -g
> LDFLAGS  = $(FCFLAGS)
> Error: Unclassifiable statement at (1)
>  In file /home/lifj/software/cp2k-g95/cp2k/makefiles/../src/
> f77_blas_netlib.F:2153
>
>     INTEGER, PARAMETER                       :: DP = KIND(0.0D0),
> &
>     1
> Error: Non-numeric character in statement label at (1)
>  In file /home/lifj/software/cp2k-g95/cp2k/makefiles/../src/
> f77_blas_netlib.F:2153
>
>     INTEGER, PARAMETER                       :: DP = KIND(0.0D0),
> &
>     1
> Error: Unclassifiable statement at (1)
>  In file /home/lifj/software/cp2k-g95/cp2k/makefiles/../src/
> f77_blas_netlib.F:2155

this looks like your fortran compiler was expecting fixed format.

[...]

> So, I tried to compile the pdbg version, the arch file Linux-x86-64-
> g95.pdbg is:
>
> CC       = cc
> CPP      =
> FC       = mpif90
> LD       = mpif90
> AR       = ar -r
> DFLAGS   = -D__G95 -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
> D__FFTW3 -D__LIBINT
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(G95_INC) -ffast-math -march=opteron -ffree-
> form -cpp -O1 -fbounds-check -ftrace=full -g
> LDFLAGS  = $(FCFLAGS)
> LIBS     = /home/lifj/software/cp2k-g95/scalapack-1.8.0/libscalapack.a
> \

[...]

> f95: unrecognized option '-cpp'
> cc1: error: unrecognized command line option "-ftrace=full"

again, this looks like a compiler problem.
most likely the compiler that is called when
using mpif90 is _not_ g95. check your installation.

moreover, it also looks as if the mpif90 wrapper
shipped with mpich has several serious flaws in
how it can pass flags to the underlying compiler
(i am not surprised). consider switching to a decent
MPI implementation like OpenMPI.

in any case, the fault here is very obviously on
your side and not a cp2k problem. you really should
build a serial version first.

cheers,
   axel.

> make[1]: *** [f77_blas_poison.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> f95: unrecognized option '-cpp'
> f95: unrecognized option '-cpp'
> cc1: error: unrecognized command line option "-ftrace=full"
> cc1: error: unrecognized command line option "-ftrace=full"
> make[1]: *** [f77_blas_generic.o] Error 1
> make[1]: *** [f77_blas_netlib.o] Error 1
> f95: unrecognized option '-cpp'
> cc1: error: unrecognized command line option "-ftrace=full"
> make[1]: *** [f77_blas_extra.o] Error 1
> make[1]: Leaving directory `/home/lifj/software/cp2k-g95/cp2k/obj/
> Linux-x86-64-g95/pdbg'
> make: *** [build] Error 2
>
> Can anybody help me? It is driving me crazy!