[CPMD-list] test calculation problems...

[Holger Hesske]

Dear members,

thanks for many advices I received within the last days for my problem, but
it still doesn´t work....
Compiling with lower Optimisation (O2....O0) only wrener.f or all files
leads always to the same result. 
.../DivZero/Overflow trap (core dumped)

But during compiling the Compiler returns some warnings:

fnonloc.f -> procedure FNONLOC is defined, but the argument does not aggre
with the dummy argument.....
also vor VRAND in stcop.f, CUBEFILE in nmr_util_p.f and EIGR_DOT in
nmr_shift_p.f

Still at the end the message is : Multigot invoked Gp relative regions
broken up into 2 separate regions 

Maybe that all doesn´t matter, but I have to find a way running the program.
Sorry, I´m a very beginner.
In addition I´ve added the test-input file (nacl.in) and my output
(nacl.out), maybe there is a point....
Thanks for all advices.

Sincerely 

Holger Heßke
TU Dresden
Institute for Inorganic Chemistry 

-- 
GMX ProMail (250 MB Mailbox, 50 FreeSMS, Virenschutz, 2,99 EUR/Monat...)
jetzt 3 Monate GRATIS + 3x DER SPIEGEL +++ http://www.gmx.net/derspiegel +++
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: nacl.in
Url: http://cpmd.org/pipermail/cpmd-list/attachments/20040218/e67090fe/attachment.cc 
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: nacl.out
Url: http://cpmd.org/pipermail/cpmd-list/attachments/20040218/e67090fe/attachment-0001.cc