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<p class=MsoNormal>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…of pinot grigio from the QE development staff.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>I did take Axel’s advice and ran “file”
against both pw.x and xpw.x and got the following (respectively):<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>pw.x: symbolic link to ‘../PW/pw.x’ (Weird…my
comment…do they really mean ‘..PW/pw.o’?)<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>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.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>OK, now on to agonies with the Intel compiler and (K)Ubuntu
7.10. Axel, please go to the following posting: <a
href="http://ubuntuforums.org/showthread.php?p=3603521">http://ubuntuforums.org/showthread.php?p=3603521</a>.
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.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>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 post.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>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…can 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.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>If I can figure out how to point configure to the lapack3
and refblas3 libs, I’ll test them against my favorite QE benchmark…example07.<o:p></o:p></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><b><i><span style='font-size:13.5pt;font-family:"Comic Sans MS"'>Paul
M. Grant, PhD</span></i></b><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Principal,
W2AGZ Technologies</span></b><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Visiting
Scholar, Applied Physics, Stanford University</span></b><span style='font-size:
12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>EPRI
Science Fellow (Retired)</span></b><span style='font-size:12.0pt;font-family:
"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>IBM
Research Staff Member Emeritus</span></b><span style='font-size:12.0pt;
font-family:"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><a
href="mailto:w2agz@pacbell.net"><b><span style='color:windowtext;text-decoration:
none'>w2agz@pacbell.net</span></b></a></span><span style='font-size:12.0pt;
font-family:"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'><a
href="http://www.w2agz.com/"><b><span style='color:windowtext;text-decoration:
none'>http://www.w2agz.com</span></b></a></span><span style='font-size:12.0pt;
font-family:"Times New Roman","serif"'><o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'> <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'> <o:p></o:p></span></p>
<p class=MsoNormal><o:p> </o:p></p>
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