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 >I-56126 Pisa, Italy Office: Lab. NEST, Via della Faggiola 19 > >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum >
