[CPMD-list] CPMD 3.7 on Cray T3E

[Juerg Hutter]

Hi

this is a problem with upper case routine names.
They are needed for the preprocessor in order
to change from double precision to single precision.

Change the calls in td_os_berry, raman_p, fukui_p,
phonons_p to zcopy, dgemm, dcopy, dsyev, and dscal
to uppercase.

In addition you have to add in the Makefile the
following two entries to the transformation rules:

-DDSYMV=SSYMV
-DDSYR2=SSYR2

regards

Juerg

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
----------------------------------------------------------


On Mon, 3 Feb 2003, Veronika Brazdova wrote:

> Dear all,
>
> I tried to compile the CPMD 3.7 code on a Cray T3E, but the compilation
> is aborted with the warnings listed below. These are the only warnings
> which occur during the compilation (before it stops). I use the standard
> Makefile generated by './Configure CRAY-T3E > Makefile'.
>
> It seems that all these problems occur in the new part of the code.
>
> 	Thanks for any help
>
> 		Veronika Brazdova
>
> Here are the warnings:
>
> cld-404 cld: WARNING
>   The symbol `ZCOPY' referenced in relocatable object `td_os_berry.o:TD_OS_BERRY' is not defined.
> cld-404 cld: WARNING
>   The symbol `DGEMM' referenced in relocatable object `raman_p.o:RAMAN_P' is not defined.
> cld-404 cld: WARNING
>   The symbol `DCOPY' referenced in relocatable object `phonons_p.o:PHONONS_P' is not defined.
> cld-404 cld: WARNING
>   The symbol `DSYEV' referenced in relocatable object `phonons_p.o:PHONONS_P' is not defined.
> cld-404 cld: WARNING
>   The symbol `DSCAL' referenced in relocatable object `fukui_p.o:FUKUI_P' is not defined.
> cld-404 cld: WARNING
>   The symbol `DSYMV' referenced in relocatable object `rprfo.o:UPDHES' is not defined.
> cld-404 cld: WARNING
>   The symbol `DSYR2' referenced in relocatable object `rprfo.o:UPDHES' is not defined.
> cld-431 cld: WARNING
>   The resulting output file `./cpmd.x' is not executable because of previous WARNING messages.
> --
> _______________________________________________________________________________
>
>                              Veronika Brazdova
>                 Humboldt University, Institute of Chemistry,
>                    Brook-Taylor-Strasse 2, 12489, Berlin
>                           vb at chemie.hu-berlin.de
>                  http://atrey.karlin.mff.cuni.cz/~verunka
>                phone: +49 30 2093 7140 fax: +49 03 2093 7136
> _______________________________________________________________________________
>
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