[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
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