[CPMD-list] (no subject)

Gerardo Gonzalez gerardo at cv.ua.pt
Mon Jul 28 12:57:24 CEST 2003


dear Axel
i´m compiling for windows, power station makes is own 
makefile... the elimination of IMPLICIT NONE was the first 
thing i´ve tried, because the compiler reported a lot of 
errors due to the needed of implicit declarations, the 
pointers works... just de declaration is different from 
that of most UNIX-based compilers, i was moving all the 
possible options in the compiler, but nothing is able to 
solve the above problems...

i will tried to look into the libraries to tried to fix 
the problem...

thanks...

On Mon, 28 Jul 2003 12:49:48 +0200
  "Axel Kohlmeyer" 
<axel.kohlmeyer at theochem.ruhr-uni-bochum.de> wrote:
>
>>>> "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.

Dear Dr.

Thanks beforehand for your concern and best wishes

Gerardo Gonzalez
Ph.D. Student
Depto. Eng. Ceramica
Universidade de Aveiro
Aveiro 3810-193
Portugal
e-mail: gerardo at cv.ua.pt



More information about the CPMD-list mailing list