[Pw_forum] wrong record length

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Sat May 30 21:12:30 CEST 2009


On Sat, 2009-05-30 at 15:49 -0300, Ary Junior wrote:
> Hi, I'm using ifort 11.0 64 bits to compile espresso-4.0.4 and I get
> the same "wrong record length"... Which is the equivalent
> "-qintsize=8" option for ifort compiler?

it is listed in the compiler help!

-i8  or -integer-size 64

axel.

> 
> Thank you very much!
> 
> On Mon, Mar 9, 2009 at 8:03 PM, Marci <vormar at gmail.com> wrote:
>         Dear Axel, Lex and Paolo,
>         
>         Sorry for the late answer. Thanks again for all your help. If
>         someone
>         meets the same problem, here is the solution. Unfortunately
>         the
>         easiest way didn't work (just outcommenting the test for
>         negative
>         unf_recl) and declaring unf_recl as integer*8 didn't help
>         either.
>         However on this specific system with XL fortran compiler
>         adding
>         "-qintsize=8" to FFLAGS solved my problem.
>         
>         Yours,
>         Marton
>         
>         2009/3/3 Paolo Giannozzi <giannozz at democritos.it>:
>         
>         > Axel Kohlmeyer wrote:
>         >
>         >> the interesting question is now, how to work around this
>         problem.
>         >> you could try and declare unf_recl as integer*8 and try to
>         recompile.
>         >
>         > once upon a time there were limitations on the maximum
>         length of
>         > direct access records on some machines. I remember I
>         modified the
>         > two routines that open and read/write in such a way that
>         each
>         > record was split into more records with the maximum allowed
>         > length. Anyway, for very big jobs, integers that don't fit
>         > into 32 bits will show up somewhere else, so the ultimate
>         > solution is to compile with default 64-bit integers, I guess
>         >
>         > Paolo
>         > --
>         > Paolo Giannozzi, Democritos and University of Udine, Italy
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.




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