[Pw_forum] kubuntu+gfortran+configure+make all=no executables

Paul M. Grant w2agz at pacbell.net
Thu Oct 25 01:39:12 CEST 2007

Baris, Joerg, Paolo and Axel:  I apologize for the commotion
the entire
issue was due to a blunder on my part.  I had mistakenly “source-d” instead
of “export-ed” the path to the QE binaries in .bashrc!  Grrr.  When I tried
to execute the QE binaries in the bin directory, bash reported it couldn’t
find the files.  That’s when I saw the executables had the “l” attribute set
and got thoroughly confused by the nomenclature
which I still don’t
completely understand why the “make” routine does this
the “link” seems
somewhat “recursive” (incestuous?) in that the executable code is buried in
what seems to be a “link.”  In Windows, a .lnk really does point to a
separate file.  BTW, Axel, if you do a “cp pw.x xpw.x”, xpw.x loses the “l”
attribute and actually does “look and feel like” an executable in ls –l and
a KDE file manager
and it does run when you have the pathing right.  For
newbies the best advice is to run example01 if they think they’ve got a
successful build
the run_example scripts “look around” and make sure
everything is found and pathed and more or less ignores .bashrc.
Incidentally, whoever wrote the “configure” script deserves a case
or two
pinot grigio from the QE development staff.


I did take Axel’s advice and ran “file” against both pw.x and xpw.x and got
the following (respectively):


pw.x:  symbolic link to ‘../PW/pw.x’  (Weird
my comment
do they really mean


xpw.x:  ELF 32-bit LSB executable, Intel 80386, version 1 (SYSV), for
GNU/Linux 2.6.8, dynamically linked (uses shared libs), not stripped.


OK, now on to agonies with the Intel compiler and (K)Ubuntu 7.10.  Axel,
please go to the following posting:
http://ubuntuforums.org/showthread.php?p=3603521.  This is exactly the error
that occurred with me on attempting an install of 10.0.023.  You can see
from the responses that apparently someone was able with a tour de force
effort to hack a fix.  (BTW, the Intel install complained as usual it
couldn’t find g++ and I had to go get the distro for that first.).  I then
tried backing off to 9.1.045 and got the same error message at a different
line in ./install.sh.  So Axel, you may be right
the problem could be in the
new Ubuntu  distro.  Incidentally, the install docs for the Intel Fortran
compiler do not mention Ubuntu as a tested platform
nor Debian, which is
really wild
only Red Hat and SUSE derivatives.  Re glibc, I don’t really
know where it sits in the directory structure (this is a issue I’ve always
had with Unix-derived OS’s vis-à-vis DOS/Windows, and the location seems to
change with the distro).  The Ubuntu repository doc lists it as
2.6.1-1ubuntu9.  Gcc and g++ seem to be around the GNU 4.2 level.


I’ve had success on several of my machines using openSUSE with Intel Fortran
and the LAPACK/BLAS distributed with QE.  More about that in a separate


Given all this new grief with Intel Fortran and Ubuntu (which I will post to
the respective user groups), I decided to try one of the GNU distributions.
My understanding is that a “divorce” or “forking” occurred several years ago
between g95 and gfortran and the latter became the “official” GNU release (I
have no idea which of the three
ifort, g95 or gfortran
is “best” for QE
someone out there advise?).  Since I was changing compilers, I thought I
would also change math libraries (there is a very cryptic remark in the QE
UG that “
vendor-optimized libraries can be used:  this often yields huge
gains.”  Axel, I think you’re the keeper of the libraries
which one(s) give
the “hugest gains.”) .  Because Intel Fortran install bombed, I was leery of
trying Intel MLK.  I did notice the Ubuntu repositories contained a package
called lapack3 and refblas3, so I downloaded and installed them.  I don’t
think configure found them, though, since a quick scan on config.log only
picked up the flib .a archives for lapack and blas.


If I can figure out how to point configure to the lapack3 and refblas3 libs,
I’ll test them against my favorite QE benchmark


Paul M. Grant, PhD

Principal, W2AGZ Technologies

Visiting Scholar, Applied Physics, Stanford University

EPRI Science Fellow (Retired)

IBM Research Staff Member Emeritus

 <mailto:w2agz at pacbell.net> w2agz at pacbell.net

 <http://www.w2agz.com/> http://www.w2agz.com




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