[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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> >
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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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