warnings and errors when make cp2k

Axel akoh... at gmail.com
Sat Jan 17 22:23:34 CET 2009


On Jan 17, 5:31 am, lifj <yon... at gmail.com> wrote:
> Hi, everybody,
>
>    When I make cp2k with g95, no matter sopt or popt, I have got
> warnings  like this:
>
>                                       -----------
> SUBROUTINE diagonalise_ssyev ( matrix, mysize, storageform,
> eigenvalues, &
>                                                             1
> Warning (158): INTENT(OUT) variable 'eigenvalues' at (1) is never set
> In file /home/lifj/software/cp2k-g95/cp2k/makefiles/../src/
> eigenvalueproblems.F:92

[...]

>         What effects will these warnings will take on me later
> calculations, if I do not take any action on these warnings?

those kind of warnings can almost always be safely ignored.
they only mean that g95 cannot track down cases where some
arguments of procedures are not used, when specific other
flags are set.


>     And there are a kind of errors about fftw3.f when I compile cp2k,
> the errors like this:
>
>             -----------------
>
>     mpif90  -c -D__G95 -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -
> D__FFTW3 -D__LIBINT -I -O1 -ffast-math -march=opteron -ffree-form -cpp
> -fbounds-check -g  -ftrace=full -D__COMPILE_ARCH="\"Linux-x86-64-
> g95\"" -D__COMPILE_DATE="\"Sat Jan 17 18:21:00 CST 2009\"" -
> D__COMPILE_HOST="\"localhost.localdomain\"" -D__COMPILE_LASTCVS="\"/
> xc_xpbe_hole_t_c_lr.F/1.2/Tue Jan 13 23:07:07 2009//\"" /home/lifj/
> software/cp2k-g95/cp2k/makefiles/../src/lib/fftw2_lib.F
> make[1]: *** No rule to make target `fftw3.f', needed by
> `fftw3_lib.o'.  Stop.
> make[1]: *** Waiting for unfinished jobs....
> In file /home/lifj/software/cp2k-g95/cp2k/makefiles/../src/lib/
> fftw2_lib.F:213
>
> SUBROUTINE fftw21dm ( fsign, trans, n, m, zin, zout, scale )
>                                                1
> Warning (158): INTENT(OUT) variable 'zout' at (1) is never set
> make[1]: Leaving directory `/home/lifj/software/cp2k-g95/cp2k/obj/
> Linux-x86-64-g95/pdbg'
> make: *** [build] Error 2
>
>          --------------------------
>  For such errors , I always copy a fftw3.f to the needed rout
> (namely, /home/lifj/software/cp2k-g95/cp2k/makefiles/../src/lib/),
> the fftw3.f I copied is what I have installed when I make fftw3.  And
> the problem does disappeared

this is not the proper solution. all you have to do is to
add a -I flag to the compiler flags, so that the compiler
can find this "included" file. this is similar to when you
compile c/c++ code where you have to point the compiler to
where you installed the respective header files.


>  In a compilation, I always have to copy many times.  I do not know if
> it is right to just copy a fftw3.f.

it will have the same effect, but it is inconvenient and not
needed, if your "arch" file is properly set up.

cheers,
   axel.



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