<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><br><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>Dear Giovanni, Filippo, and all</div><div><br></div><div> I've tried to compile QE-5.0.1 and it works for PGI, CCE (Cray), and Intel compilers on Rosa (XE6) at CSCS.</div><div>However, I've discarded the latter because it was apparently not possible to link against MKL scalapack (which is a bad thing, since you usually want to study big systems on those machines), since they usually come with OpenMPI and Intel MPI flavors only. The user support at CSCS got in touch with Cray staff on that issue, but they weren't able</div>to provide a solution. Has any of you succeeded in doing this?<div><div>My CCE compiled version is a bit faster than the PGI one, but I did not have any previous experience with these compilers. A member of CSCS staff also managed to compile with both PGI and CCE, and his PGI build was slightly faster than my CCE. So, if you are familiar with PGI, you should probably stick to that.</div><div><br></div><div><div>HTH</div><div><br></div><div>Gabriele</div><div><br></div><div><br><div><div>Il giorno 20/ago/2012, alle ore 10.43, Giovanni Pizzi ha scritto:</div><blockquote type="cite">
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<div class="moz-cite-prefix">Dear all,<br>
just to follow up, indeed my experience on the Cray system
<a href="http://rosa.cscs.ch/">rosa.cscs.ch</a> was similar to Filippo's one, i.e. Intel compiler
working, CRAY compiler not working. The only difference being that
I wasn't able to compile with PGI (probably because I wasn't aware
of the IOTK workaround debug flag, and then I stopped trying when
the intel compilation worked).<br>
<br>
Giovanni<br>
<br>
<br>
On 08/16/2012 05:21 PM, Filippo Spiga wrote:<br>
</div>
<blockquote cite="mid:3CDD9222-99B8-4ED5-8F17-EDC9674B952D@gmail.com" type="cite">
<div>
<div>Dear Paolo,</div>
<div><br>
</div>
<div>On Aug 16, 2012, at 10:12 PM, Paolo Giannozzi <<a moz-do-not-send="true" href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>>
wrote:</div>
<blockquote type="cite">On Aug 16, 2012, at 11:51 , Filippo
Spiga wrote:<br>
<br>
<blockquote type="cite">I do not see a any reasonable reason
to compile QE using Intel compiler on a CRAY, the PGI
compiler (usually the default) works. Moreover it is weird
that mpif90 is called because CRAY systems the correct
FORTRAN compiler is always "ftn" (that is actually a wrapper
to whatever compiler is selected through the modules
loaded). Anyway, I am currently using the CRAY XE6 installed
at CSCS in Switzerland (MonteRosa) and I simply use the PGI
compiler and the default CRAY LibSci.<br>
</blockquote>
<br>
before leaving for vacations, I had a different report by
Giovanni Pizzi (CC: here) for<br>
exactly the same machine: various problems with the cray
compiler, either in the<br>
compilation phase or in execution. I was surprised because the
ftn compiler on cray<br>
has always been working very reliably. Did you need
./configure --disable-wrappers<br>
to prevent ./configure from stopping in the C-to-fortran
interface check, by the way?<br>
</blockquote>
<div><br>
</div>
<div>From my experience no, I never had big or blocking problems
with the ftn/cc wrappers. However I have to admit that despite
CRAY provide an "uniform and fairly easy" environment, every
machine is unique. My experience on CRAY systems can be
summarized in this way:</div>
<div>- PGI compiler (loading pgi-env) + CRAY LibSci + ftn/cc
wrappers --> ok </div>
<div>- CRAY compiler (loading cray-env) + CRAY LibSci + ftn/cc
wrappers --> compilation fails</div>
<div>- PGI compiler (loading pgi-env) + CRAY LibSci + ftn/cc
wrappers + CUDA (XK6 machines) --> ok </div>
<div>
<div>- Intel compiler (loading intel-env) + MKL + ftn/cc
wrappers + CUDA (XK6 machines) --> ok (but I tried only
few times)</div>
<div>- Intel compiler (loading intel-env) + ACML + ftn/cc
wrappers + CUDA (XK6 machines) --> ok (but I tried only
few times)</div>
<div><br>
</div>
<div>On a CRAY testing machine (so, not a common case) I had
to unload some modules ("$ <span style="font-family: Arial;
">module unload atp totalview-support xt-totalview
hss-llm"), </span><span style="font-family: Arial; ">This
is the only "weird" thing I did to compile and run QE.</span></div>
<div><br>
</div>
</div>
<div>I did not mention in my previous email the option
"--disable-wrapper: because I was curious to hear from Miller
if using PGI compiler (instead of Intel) and "ARCH=crayxt" was
enough to solve the problem. Of course if something goes wrong
the first thing that I probably would suggest is to try
--disable-wrapper but also I would check if there is some
error/mistake/typo in the modulefile. That's something that
the user support people should do, not the user.</div>
<div><br>
</div>
<div>
<div>@Giovanni, I wrote an email to Emine with some hints
related to Monte Rosa. She has more details for that
specific machine.</div>
<div><br>
</div>
</div>
<div>HTH</div>
<div><br>
</div>
</div>
<div>Ciao!</div>
<div>F.</div>
<div> </div>
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<div style="word-wrap: break-word;
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<div style="word-wrap:
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separate; orphans: 2;
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<div style="word-wrap:
break-word;
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space;
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after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2;
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<div style="word-wrap:
break-word;
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space;
-webkit-line-break:
after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; orphans: 2;
text-indent: 0px;
widows: 2;
border-spacing:
0px; ">
<div style="word-wrap:
break-word;
-webkit-nbsp-mode:
space;
-webkit-line-break:
after-white-space;
"><span class="Apple-style-span" style="border-collapse:
separate;
orphans: 2;
text-indent:
0px; widows:
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0px; ">
<div style="word-wrap:
break-word;
-webkit-nbsp-mode:
space;
-webkit-line-break:
after-white-space;
"><span class="Apple-style-span" style="border-collapse:
separate;
orphans: 2;
text-indent:
0px; widows:
2;
border-spacing:
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<div style="word-wrap:
break-word;
-webkit-nbsp-mode:
space;
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after-white-space;
"><span class="Apple-style-span" style="border-collapse:
separate;
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2;
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0px; ">
<div style="word-wrap:
break-word;
-webkit-nbsp-mode:
space;
-webkit-line-break:
after-white-space;
">--<br>
Mr. Filippo
SPIGA, M.Sc.,
Ph.D.
Candidate <br>
CADMOS - Chair
of Numerical
Algorithms and
HPC (ANCHP)<br>
École
Polytechnique
Fédérale
de Lausanne
(EPFL)<br>
<a moz-do-not-send="true" href="http://anchp.epfl.ch/">http://anchp.epfl.ch</a> ~ <a moz-do-not-send="true" href="http://filippospiga.me/">http://filippospiga.me</a> ~ skype:
filippo.spiga<br>
<br>
«Nobody will
drive us out
of
Cantor's paradise.»
~ David
Hilbert</div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</span></div>
</div>
</div>
<br>
</blockquote>
<br>
<br>
<pre class="moz-signature" cols="72">--
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 319 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31159
</pre>
</div>
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