warnings and errors when make cp2k

[lifj]

Thank Axel very much!

On Jan 18, 5:23 am, Axel <akoh... at gmail.com> wrote:
> 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.