negative argument in ALOG bug in FEFF825 on CRAY PVP machines

["John J. Rehr" <jjr@leonardo.phys.washington.edu>]

Hi Jim, Alex and Matt,

   The negative argument in ALOG  bug appears to have come indirectly
from negative values of the muffin tin radius rmt(1), which the code
reads by mistake from the packed ascii intermediate .bin files with the
subroutine rdpadd. The packed ascii utilities were introduced in FEFF
by Matt Newville to facilitate portability (instead of using architecture
specific binary files), and generally work quite well. According to the
notes in wrpadd they are designed to pack double precision arrays.
 These utilities are in padlib.f and are found the COMMON subdirectory
of the FEFF825 distribution.

   It's not clear to me whether these utilities should still work
properly when the double precision is turned off, as appropriate
for the f90 compile options for the 64 bit word Cray PVP machines (e.g.
killeen at NERSC)
#!/bin/sh -x
 f90 -O2 -dp  rdinp_tot.f -o ../bin/rdinp -lmpi
 f90 -O2 -dp   pot_tot.f -o ../bin/ffmod1 -lmpi
 f90 -O2 -dp   ldos_tot.f -o ../bin/ldos -lmpi
 f90 -O2 -dp   xsph_tot.f -o ../bin/ffmod2 -lmpi
 f90 -O2 -dp   fms_tot.f -o ../bin/ffmod3 -lmpi
 f90 -O2 -dp   path_tot.f -o ../bin/ffmod4 -lmpi
 f90 -O2 -dp   genfmt_tot.f -o ../bin/ffmod5 -lmpi
 f90 -O2 -dp   ff2x_tot.f -o ../bin/ffmod6 -lmpi

  I'll cc this to Matt in case he has a comment on this problem.
He has mentioned already that we should update the padlib.f library
to the version in his gifeffit codes. Possibly there is a simple
switch (?).

   J. Rehr