[Pw_forum] Broken PP routines in espresso-3.2.2?

[Tyler Grassman]

Hello.  I've recently obtained and compiled the full Espresso package
(v.3.2, patched to 3.2.2), although currently I'm only trying to work with
the PW and PP components.  As I'm new to this code, I've been working with
the provided examples/tests (specifically, 1 and 8), and have run into a
problem.  I've found that the pw.x portions all work fine (serial and
parallel), but the PP components (I've tested serial versions of bands.x,
dos.x, and projwfc.x) all crash after a running for few seconds, and all in
the exact same way, with no errors given...  I get the standard introduction
output: "Program POST-PROC v.3.2.2  starts ... Today is 15Aug2007 at 11:
1:30" and then after running a couple more seconds I get the segmentation
fault.  All the appropriate files appear to be in place, and the program is
looking in the right place (if I move things around it'll complain that it
can't find the tmp directory or the .save file).

Unfortunately, my understanding of Fortran is rudimentary, at best, but I
tried to trace down the issue by planting stdout write statements in the PP
codes, and found that the routines do not seem to proceed beyond the
read_file call (e.g. line 105 in dos.f90).  And that's about where my
debugging abilities end, I'm afraid.  Has anyone else ran into this problem?

My system and compilation setup is as follows...
  
OS/Architecture = CentOS 4.3 (AMD64) on dual Opteron 2214 (dual-core)
F90 = pgf90 (v.6.2-5)
CC = gcc
LAPACK/BLAS = acml (v.3.6)
FFTW = internal

I can give my optimizations and such if anyone wants them, but I've also
tried turning off all optimizations (i.e. setting both CFLAGS and FFLAGS to
-O0), and I get the same exact crashing, so I'm guessing that's not the
issue.  I've also tried compiling with pgf90 v.5.2-4, but pw.x itself
segfaults, and I didn't think it was worth trying to figure that one out...
But I'm not so sure that it's necessarily a compiler issue, since I've had
plenty of suggess with pgf90 6.2-5 with pw.x, as well as other codes (such
as VASP and CPMD).

So, has anyone else run into these problems?  Or does anyone have any ideas
that I can do to try to remedy the situation?

Thank you,

Tyler Grassman
Depts. of Materials Science, Chemistry/Biochemistry
University of California, San Diego
9500 Gilman Dr. #0358
La Jolla, CA 92093-0358