[Wien] Re: DOS Problems and tetra using intel ifc8.1 -r8 option

[Kroeker Martin]

Following up on Gerhard Fechers observations, i have come to the conclusion
(from debugging with idb, and comparing case.dos* outputs) that the
following changes to SRC_tetra are both required and sufficient:
1)  in tetra.f and arbdos.f, drop the "*4" qualifier from the declarations
    RNUMB,DENSTY,FERMDEN,EBS,FC,QTL;XQTL,EHELP,DENBR and SNUMB.
2)  add a new member function doreallocate_r8_d3() in reallocate.f (a simple
    clone of doreallocate_r4_d3 from the same file with real*8 instead of *4)

Without these, tetra would segfault in ADOS() for high band numbers 
(due to misallocation of the FC array) and/or print spurious *** or ??? 
values (probably ifc's way of saying NaN).
A context diff is appended for convenience.

Best regards,
Martin
-- 
Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg