[Pw_forum] espresso compilation error IBM SP4 arch

[Eyvaz Isaev]

Hi,

In addition to Axel's comment. The best solution was
proposed by Kostya Kudin: 
add -I$(OSHOME)/include to CPPFLAGS.
On some IBM machines where new "configure" does not
work, configuring a make.sys in old manner and then
adding aforemwntioned keyword works well.

Bests,
Eyvaz.
 
--- Axel Kohlmeyer
<axel.kohlmeyer at theochem.ruhr-uni-bochum.de> wrote:

> 
> On Sat, 2 Oct 2004 aaron at nemo.physics.ncsu.edu
> wrote:
> 
> A> Hi All, Carlo,
> A> 
> A> Thanks very much for the help.  I was able to
> move past that point with
> A> your file parser.f90.  Now I'm stuck again, but I
> really want the
> A> functionality I read about.
> A> 
> A> Here's the error:
> A> 
> A> > >
>
***********************************************************
> A> > >
>
***********************************************************
> A> 
> A>         cc
> -Wp,-D__AIX,-D__PARA,-D__MPI,-DHAS_ZHEGVX -O2 -c
> c_mkdir.c
> A> "c_mkdir.c", line 17.10: 1506-296 (S) #include
> file "c_defs.h" not found.
> A> make: 1254-004 The error code from the last
> command is 1.
> A> 
> A> 
> A> Stop.
> A> make: 1254-004 The error code from the last
> command is 2.
> A> 
> A> 
> A> Stop.
> A> 
> A> > >
>
***********************************************************
> A> > >
>
***********************************************************
> A> 
> A> Usually I would expect the c-compiler to find
> these ~.h files on its own.
> 
> aaron, 
> 
> this is only true for (some of) the system headers.
> c_defs.h is part of
> the espresso package, and thus you have to make
> sure, that a) the IFLAGS
> definition contains -I../include and b) definition
> of CCFLAGS contains
> $(IFLAGS) so that the preprocessor knows how to find
> that file.
> 
> regards,
> 	axel.
> 
> A> 
> A> I can really make use of the functionality to
> specify intermediate images
> A> in the NEB.
> A> 
> A> Thanks
> A> 
> A> Aaron
> A>  
> A> On 
> A> Fri, 1 Oct 2004, carlo sbraccia wrote:
> A> 
> A> > Dear Aaron,
> A> > with some version of the AIX compiler, some
> combination of flags lead to
> A> > variables being defined as static, hence giving
> a conflict with PURE
> A> > function. To solve the problem (or compiler
> bug) we must force the
> A> > variable to be AUTOMATIC. Try with the attached
> routine.
> A> > carlo
> A> > 
> A> > On Fri, 2004-10-01 at 00:02,
> aaron at nemo.physics.ncsu.edu wrote:
> A> > > Hi,
> A> > > 
> A> > > I'm very excited to try the new release.
> A> > > However I've run into a small compilation
> error as follows:
> A> > > 
> A> > >
>
***********************************************************
> A> > >         mpxlf -qalias=noaryovrlp -I../include
>  -O3 -qstrict -qarch=auto 
> A> > > -qtune=auto -qsuffix=cpp=f90  -qdpc -Q
> -qalias=nointptr -qfree=f90 
> A> > > -I/tmp/work/amgeorge/pw2.1/install 
> A> > > -WF,-D__AIX,-D__PARA,-D__MPI,-DHAS_ZHEGVX 
> A> > > -I/tmp/work/amgeorge/pw2.1/Modules
> -I/tmp/work/amgeorge/pw2.1/PW 
> A> > > -I/tmp/work/amgeorge/pw2.1/PH -c parser.f90
> A> > > "parser.f90", 1514-286 (S) The variable, j,
> has the SAVE or STATIC 
> A> > > attribute.  A variable declared in a pure
> subprogram must not have the 
> A> > > SAVE or STATIC attribute.  You may have
> specified the SAVE option 
> A> > > explicitly or by default.
> A> > > "parser.f90", 1514-286 (S) The variable,
> sep2, has the SAVE or STATIC 
> A> > > attribute.  A variable declared in a pure
> subprogram must not have the 
> A> > > SAVE or STATIC attribute.  You may have
> specified the SAVE option 
> A> > > explicitly or by default.
> A> > > "parser.f90", 1514-286 (S) The variable,
> sep1, has the SAVE or STATIC 
> A> > > attribute.  A variable declared in a pure
> subprogram must not have the 
> A> > > SAVE or STATIC attribute.  You may have
> specified the SAVE option 
> A> > > explicitly or by default.
> A> > > ** parser   === End of Compilation 1 ===
> A> > >
>
***********************************************************
> A> > >
>
***********************************************************
> A> > > 
> A> > > Please advise.
> A> > > 
> A> > > Thanks in advance,
> A> > > 
> A> > > Aaron
> A> > > 
> A> > > 
> A> > > 
> A> > > 
> A> > >
> _______________________________________________
> A> > > Pw_forum mailing list
> A> > > Pw_forum at pwscf.org
> A> > >
> http://www.democritos.it/mailman/listinfo/pw_forum
> A> > 
> A> 
> A> _______________________________________________
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> A> 
> A> 
> 
> -- 
> 
> 
>
=======================================================================
> Dr. Axel Kohlmeyer                        e-mail:
> axel.kohlmeyer at rub.de
> Lehrstuhl fuer Theoretische Chemie          Phone:
> ++49 (0)234/32-26673
> Ruhr-Universitaet Bochum - NC 03/53         Fax:  
> ++49 (0)234/32-14045
> D-44780 Bochum 
>
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
>
=======================================================================
> 
> 
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