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Re: Fe3O4 + nphx = 7

Matt,

It always works with 8 but I have need to go to 24 potentials at times.

At 24 is when it fails.

Jeff

On Thursday, July 3, 2003, at 09:38 AM, Matt Newville wrote:


Peter, Jeff,

This seems strange to me, and I'd like to understand it better.  I
would have thought that the 128 character strings in these locations
should allow up to 11 potentials.  That may still be too small (and
it's pretty silly to have the ultimate limitation on potentials be
saving 128bytes of memory!), but it should allow nphx=8 for sure.

Could you send an input file with 8 potentials that fails with
nphx=8 and

  LINE 20840 (genfmt):
       character*128 string
  LINE 25608 (rdfbin):
      character*(*) potlbl(0:nphx), filnam*128, str*128, msg*256

but works with

  LINE 20840 (genfmt):
       character*256 string
  LINE 25608 (rdfbin):
      character*(*) potlbl(0:nphx), filnam*128, str*256, msg*256
?

If this is the main limitation to the number of potentials,
it should certainly be increased!
Thanks,

--Matt Newville (newville at cars.uchicago.edu)