[Pw_forum] [Pw_users] Pre-release of Quantum-Espresso v.4

[Axel Kohlmeyer]

On Wed, 5 Mar 2008, Giovanni Cantele wrote:

GC> Dear Axel,
GC> thanks a lot for reply.
GC> 
GC> Actually, that doesn't help.

ok. well, paolo found the flaw in my quick-hack.

GC> After, I find errors like
GC> f90: Error: iotk_tool.f90, line 418: This name does not have a type, and 
GC> must have an explicit type.   [IOTK_LOGICAL2]
GC>   write(*,"(a)") "  logical(kind="//trim(iotk_itoa(iotk_logical2))//")"
GC> ---------------------------------------------------^
GC> f90: Error: iotk_tool.f90, line 418: There is no matching specific 
GC> function for this generic function reference.   [IOTK_ITOA]
GC>   write(*,"(a)") "  logical(kind="//trim(iotk_itoa(iotk_logical2))//")"
GC> -----------------------------------------^
GC> 
GC> I'm not sure that the problems is with the lines beginning with '#' 
GC> because most of the files within iotk/src are built with the same logic
GC> (try: grep '^#' *f90), but their compilation succeeds. It seems like 

i had a look at the code and the problem is in fortran95 line
continuation markers '&' that do not get propagated across the
preprocessor comments and thus throw the compiler off balance.

GC> some "include" or some preprocessing instruction is not given to only
GC> iotk_tool.f90, so as it fails. I inspected also the Makefile, to see if 
GC> by chance some .o file was missing in the iotk_tool.o dependencies, but
GC> I couldn't find one.
GC> Actually, I couldn't well understand how *.spp files are used before the 
GC> 'true' compilation.

the .f90 files of the iotk library are generated from the .spp
files with a preprocessing step.

GC> 
GC> Giovanni
GC> 
GC> 
GC> PS did someone succeed in compiling the CVS on alpha-Tru64 Unix?

i thought for a long time that i was the last person that would
occasionally compile QE on an alpha and notice little oversights
in variable declarations and similar stuff that only the 
ultra-paranoid alpha compilers complained about (and that was 
about 3 years ago). all alphas i know of have since been retired.

most reasonable laptops, these days, are faster than the alpha cpus,
so i hope the machine is large enough to warrant the effort.

cheers,
   axel.

GC> 
GC> > GC> f90: Error: iotk_tool.spp, line 477: Syntax error, found 
GC> > GC> CHARACTER_CONSTANT 'iotk_tool.spp' when expecting one of: * :: , 
GC> > GC> <END-OF-STATEMENT> ; : ) + . - (/ [ ] /) ' ** / > // .LT. ...
GC> > GC> # 475 "iotk_tool.spp"
GC> > GC> ------^
GC> > GC> f90: Error: iotk_tool.spp, line 478: Syntax error, found 
GC> > GC> END-OF-STATEMENT when expecting one of: (
GC> > GC> " intro"
GC> > GC> --------^
GC> > GC> 
GC> > GC> 
GC> > GC> After I tried to "touch iotk_tool.o", the "make libiotk.a" ended with no 
GC> > GC> error, therefore iotk_tool.f90 is the
GC> > GC> only file which the compiler does not agree with.
GC> >
GC> >
GC> > GC> 
GC> > GC> Any hint about how to "make iotk_tool.o" ???
GC> > GC> 
GC> > GC> I'm compiling under OSF1 V5.1 2650 alpha
GC> > GC> 
GC> > GC> compiler version: HP Fortran Compiler V5.5A-3548-48D88
GC> > GC> 
GC> > GC> 
GC> > GC> Thanks a lot,
GC> > GC> 
GC> > GC> Giovanni
GC> > GC> 
GC> > GC> 
GC> >
GC> >   
GC> 
GC> 
GC> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.