<div dir="ltr">Dear Paolo,<div><br></div><div>there were troubles using "--enable-openmp", I've committed a fix that it seems to work. I am trying several version of Intel and MKL on different machines because there is still something weird.... For example I want to trace the reason why this happens:</div>
<div><br></div><div><div><font face="courier new, monospace">The following libraries have been found:</font></div><div><font face="courier new, monospace"> BLAS_LIBS= -lmkl_intel_lp64 -lmkl_intel -lmkl_core</font></div>
<div><font face="courier new, monospace"> LAPACK_LIBS=/home/fs395/me/QE/espresso/lapack-3.2/lapack.a</font></div><div><font face="courier new, monospace"> FFT_LIBS=</font></div><div><br></div><div>If you are using MKL and Intel, you can avoid "/home/fs395/me/QE/espresso/lapack-3.2/lapack.a" at all. Am I wrong?</div>
<div><br></div><div>Moreover also this happen when you use MKL and GNU compilers:</div><div><br></div><div><div><font face="courier new, monospace">The following libraries have been found:</font></div><div><font face="courier new, monospace"> BLAS_LIBS= -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core</font></div>
<div><font face="courier new, monospace"> LAPACK_LIBS=</font></div><div><font face="courier new, monospace"> FFT_LIBS=</font></div><div><br></div><div>Why in this case LAPACK_LIBS is empty? If you do not mind, I will try to test several combinations of:</div>
</div><div>- "--enable-openmp" versus "--disable-openmp"</div><div>- MKL and Intel versus MKL and GNU</div><div>- serial MKL and multi-threaded MKL (by the way, you cannot install MKL has both sequential and multi-threaded libraries, Intel does not release those separately)</div>
<div><br></div><div style>On the Darmin cluster here at Cambridge I can basically switch between several versions of Intel (from 10.0.023 to 13.1.0.146) and several versions of MKL (from 10.0.3.020 and 11.0.2.146) using module. Trying several of them just requires some time.</div>
<div style><br></div><div><div>I like the "-mkl=..." stuff but in order to maintain backward compatibility with old Intel compilers (previous 13.x.x or previous 12.x.x) we might need to check also the compiler version. Is it worth the additional lines in the configure? At the end of the day <br>
</div><div><br></div></div><div>Cheers,<br></div><div>FIlippo</div><div><br></div></div></div><div class="gmail_extra"><br clear="all"><div><div>--</div><div>Mr. Filippo SPIGA, M.Sc.</div><div><a href="http://filippospiga.me" target="_blank">http://filippospiga.me</a> ~ skype: filippo.spiga</div>
<div><br></div><div>«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert</div><div><br></div></div>
<br><br><div class="gmail_quote">On Fri, Apr 5, 2013 at 3:54 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:paolo.giannozzi@uniud.it" target="_blank">paolo.giannozzi@uniud.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
On Fri, 2013-04-05 at 14:21 +0200, Lorenzo Paulatto wrote:<br>
<br>
> Can you try to use "-mkl=cluster" (scalapack) and "-mkl=sequential"?<br>
<br>
it works only for ifort, I guess. Thanks for the info.<br>
I wrote a dumb version of <a href="http://configure.ac" target="_blank">configure.ac</a> and it seems to work.<br>
<span class="HOEnZb"><font color="#888888"><br>
P.<br>
--<br>
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
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