[Pw_forum] segmentation fault

[Patricia Paredes]

ejem... i was trying to ask if is anyway to estimate the requierements of
memory *before* the calculation gets stuck...
The new version always give the segmentation fault error, I'll check if
it's a new patch for pgi. Thanks!
Patricia.


A 10:31 PM 3/24/2003 +0100, ha escrito:
>Hi
>
>> How can I estimate the actual requirements of memory?? 
>
>the code prints out a very rough estimate of the dinamical memory used
>(if it manages to finish a calculation, of course)
>
>> which one is the variable or the dimension associated with the size of the
>> system??
>
>one ? many of them ! look at the number of plane waves (npwx), the maximum
>number of states (nbndx), the dimensions of the FFT grid (nr1, nr2, nr3, and
>nr1s, nr2s, nr3s), the number of G-vectors (ngm). In the manual there is a
>section with some information on memory requirements. 
>
>> I'd dowloaded the new version, but when I run the ./configure I
>> get the following message: [...]
>
>it's harmless. If you are annoyed by the messages, just create empty
>directories CPV/ FPMD/ flib/
>
>> I guessed this message was related to the molecular dynamic codes
>
>you guessed right
>
>> But when I try to run an example file, I get a segmentation fault error....
>
>always ?
>
>if you are using the Portland Group compiler (pgf90) verify that you
>have the latest compiler patches installed (available on their site).
>
>Also: try to remove the limits on the stack (with commands
>"limits stacksize unlimited", or "ulimit -s unlimited", or something
>like this). 
>
>Paolo
>
>-- 
>Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
>Scuola Normale Superiore    Phone:   +39/050509412
>Piazza dei Cavalieri 7      Fax:     +39/050509417, 050563513     
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>
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