[Bug fortran/43551] [4.4/4.5 Regression] Quantum Espresso miscompiled

2010-03-27 Thread rguenth at gcc dot gnu dot org


--- Comment #1 from rguenth at gcc dot gnu dot org  2010-03-27 19:41 ---
This is very little information.  What target, what set of optimization
options?


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http://gcc.gnu.org/bugzilla/show_bug.cgi?id=43551



[Bug fortran/43551] [4.4/4.5 Regression] Quantum Espresso miscompiled

2010-03-27 Thread burnus at gcc dot gnu dot org


--- Comment #2 from burnus at gcc dot gnu dot org  2010-03-27 19:52 ---
Working: 2009-04-05-r145558
Failing: 2009-04-06-r145580

Changelog shows a couple of I/O patches - and indeed if one uses the working
version with the current 4.4.4 libgfortran the bug is also present. Now, I need
to find a minimal example. The I/O patch I suspect is:
  PR fortran/38654
  http://gcc.gnu.org/viewcvs?view=revrevision=145571


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burnus at gcc dot gnu dot org changed:

   What|Removed |Added

 CC||jvdelisle at gcc dot gnu dot
   ||org


http://gcc.gnu.org/bugzilla/show_bug.cgi?id=43551



[Bug fortran/43551] [4.4/4.5 Regression] Quantum Espresso miscompiled

2010-03-27 Thread burnus at gcc dot gnu dot org


--- Comment #3 from burnus at gcc dot gnu dot org  2010-03-27 20:56 ---
No success so far; I will try it tomorrow. To reproduce: Fetch, as written in
comment 0, the source code and untar it.

./configure F77=gfortran F90=gfortran FFLAGS_NOOPT='-O0 -g' BLAS_LIBS=-lblas
LAPACK_LIBS=-llapack  FFLAGS='-O1 -g'  make pwall

cd ../espresso-4.1.1; ln -s ../espresso-4.1.2/bin .
cd examples/example02;
./run_example
# abort while: running the phonon calculation at Gamma for Si...

You now need and should have:
a) results/si.phG.in
b) $HOME/tmp/si.wfc and $HOME/tmp/si.save
(You can delete all other files under $HOME/tmp/ and under results.) Those
files are identical with failing and working libgfortran.

Run now: ../../../bin/ph.x  si.phG.in
The wrong output is in ./si.dynG, stdout and in
$HOME/tmp/_phsi.phsave/data-file.xml* Wrong output can for instance be found in
*.xml.1 for item DIELECTRIC_CONSTANT  The first value should be around
1.380642769884322E+001 and wrong is around 1.283252593899003E+001.


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burnus at gcc dot gnu dot org changed:

   What|Removed |Added

   Target Milestone|--- |4.4.4


http://gcc.gnu.org/bugzilla/show_bug.cgi?id=43551



[Bug fortran/43551] [4.4/4.5 Regression] Quantum Espresso miscompiled

2010-03-27 Thread burnus at gcc dot gnu dot org


--- Comment #4 from burnus at gcc dot gnu dot org  2010-03-27 21:43 ---
Just another data point: I have disabled the format caching (format_cache_ok =
false in io/format.c), but it did not seem to help (on the trunk).


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http://gcc.gnu.org/bugzilla/show_bug.cgi?id=43551