[Pw_forum] espresso compilation error IBM SP4 arch

[Axel Kohlmeyer]

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> 
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A> 
A> 

-- 


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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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