[CPMD-list] (no subject)

Axel Kohlmeyer axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Mon Jul 28 12:49:48 CEST 2003


>>> "GG" == Gerardo Gonzalez <gerardo at cv.ua.pt> writes:

GG> Dear Dr. Kohlmeyer,

hello gerardo,

GG> I have comment all the parallel and vector code, because 
GG> the MS Fortran Power Station don´t recognize the #ifdef

you should not do that. the ifdefs are needed to select
code depending on architecture, compiler, parallization,
and included features. you should run the code through a 
c-preprocessor instead to produce the real fortran code.

have a look at the makefile. each .F file is run though 
$(CPP) with $(CPPFLAGS) to produce the corresponding .f file.
you can try to install the GNU gcc compiler to do that.

GG> statement, also the pointer declaration was changed (a 
GG> declaration per pointer word) because the type declaration 
GG> pointer (),() is also unrecognize, and I have eliminated 

the pointer keyword is _essential_ for the dynamic memory 
management of cpmd. if your compiler does not support that,
you're out of luck. at least for the time being. sorry.

GG> the IMPLICIT NONE statement because
GG> that sentence give me an error of implicit type needed... 
GG> is all

that also does not sound too good, but it maybe a consequence
of the rather drastic changes you made to the source code.

take care,
     axel.

GG> cheers Gerardo.




GG> On Mon, 28 Jul 2003 09:08:37 +0200
GG>   "Axel Kohlmeyer" 
GG> <axel.kohlmeyer at theochem.ruhr-uni-bochum.de> wrote:
>>>>> "GG" == Gerardo Gonzalez <gerardo at cv.ua.pt> writes:
>> 
>> 
GG> dear all,
GG> i'm compiling cpmd for windows xp (yeah... it's 
>> strangeous 
GG> but i want to use a pentium iv with such system) an d 
>> i 
GG> get the error:
GG> Assertion failed: 0, file err_gensym.c, line 1245
>> 
GG> wht´s wrong? 
>> 
>> hi gerardo,
>> 
>> the error message is probably from the runtime library 
>> that
>> got an unexpected input. when exactly does this happen?
>> what changes did you have to make to the source code,
>> and preprocessor flags do you set in the makefile?
>> 
>> since the cpmd code in some places assumes a unixoid 
>> operating
>> environment, there is a small chance that your setup does
>> not match that criterion far enough.
>> 
>> hope this helps,
>> axel.
>> 
GG> i haven´t such file (err_gensym.c) inside the .tar.gz 
GG> files for versions 3.7.2 (neither for the 3.7.1 
>> version)
>> 
GG> thanks beforehand 
>> 
>> 
>> 
GG> Gerardo Gonzalez
GG> Ph.D. Student
GG> Depto. Eng. Ceramica
GG> Universidade de Aveiro
GG> Aveiro 3810-193
GG> Portugal
GG> e-mail: gerardo at cv.ua.pt
GG> _______________________________________________
GG> CPMD-list mailing list
GG> CPMD-list at cpmd.org
GG> http://www.cpmd.org/mailman/listinfo/cpmd-list
>> 
>> 
>> 
>> --
>> 
>> =======================================================================
>> Axel Kohlmeyer       e-mail: 
>> axel.kohlmeyer at theochem.ruhr-uni-bochum.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
>> =======================================================================
>> If you make something idiot-proof, the universe creates a 
>> better idiot.

GG> Dear Dr.

GG> Thanks beforehand for your concern and best wishes

GG> Gerardo Gonzalez
GG> Ph.D. Student
GG> Depto. Eng. Ceramica
GG> Universidade de Aveiro
GG> Aveiro 3810-193
GG> Portugal
GG> e-mail: gerardo at cv.ua.pt
GG> _______________________________________________
GG> CPMD-list mailing list
GG> CPMD-list at cpmd.org
GG> http://www.cpmd.org/mailman/listinfo/cpmd-list



--

=======================================================================
Axel Kohlmeyer       e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.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
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.



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