<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">If you give me green light I will take care of all of this within the week ;-)<div><br></div><div>Ciao</div><div>F</div><div><br><div><div>On Apr 8, 2013, at 12:28 PM, Paolo Giannozzi <<a href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Hi Filippo<br><br>feel free to make whatever change you deem necessary.<br>Maybe it might be a good idea to get rid of old stuff<br>like ifort versions < 9 and the corresponding mkl. <br>There are so many cases and subcases and I have just <br>one case available (my two desktop PC's and notebook,<br>all of them with the same version of all software!).<br><br>Paolo<br><br>On Mon, 2013-04-08 at 11:38 +0100, Filippo Spiga wrote:<br><blockquote type="cite">Dear Paolo,<br><br><br>there were troubles using "--enable-openmp", I've committed a fix that<br>it seems to work. I am trying several version of Intel and MKL on<br>different machines because there is still something weird.... For<br>example I want to trace the reason why this happens:<br><br><br>The following libraries have been found:<br> BLAS_LIBS= -lmkl_intel_lp64 -lmkl_intel -lmkl_core<br> LAPACK_LIBS=/home/fs395/me/QE/espresso/lapack-3.2/lapack.a<br> FFT_LIBS=<br><br><br>If you are using MKL and Intel, you can avoid<br>"/home/fs395/me/QE/espresso/lapack-3.2/lapack.a" at all. Am I wrong?<br><br><br>Moreover also this happen when you use MKL and GNU compilers:<br><br><br>The following libraries have been found:<br> BLAS_LIBS= -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core<br> LAPACK_LIBS=<br> FFT_LIBS=<br><br><br>Why in this case LAPACK_LIBS is empty? If you do not mind, I will try<br>to test several combinations of:<br>- "--enable-openmp" versus "--disable-openmp"<br>- MKL and Intel versus MKL and GNU<br>- serial MKL and multi-threaded MKL (by the way, you cannot install<br>MKL has both sequential and multi-threaded libraries, Intel does not<br>release those separately)<br><br><br>On the Darmin cluster here at Cambridge I can basically switch between<br>several versions of Intel (from 10.0.023 to 13.1.0.146) and several<br>versions of MKL (from 10.0.3.020 and 11.0.2.146) using module. Trying<br>several of them just requires some time.<br><br><br>I like the "-mkl=..." stuff but in order to maintain backward<br>compatibility with old Intel compilers (previous 13.x.x or previous<br>12.x.x) we might need to check also the compiler version. Is it worth<br>the additional lines in the configure? At the end of the day <br><br><br><br>Cheers,<br><br>FIlippo<br><br><br><br>--<br>Mr. Filippo SPIGA, M.Sc.<br><a href="http://filippospiga.me">http://filippospiga.me</a> ~ skype: filippo.spiga<br><br><br>«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert<br><br><br><br><br>On Fri, Apr 5, 2013 at 3:54 PM, Paolo Giannozzi<br><<a href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>> wrote:<br> On Fri, 2013-04-05 at 14:21 +0200, Lorenzo Paulatto wrote:<br><br><blockquote type="cite">Can you try to use "-mkl=cluster" (scalapack) and<br></blockquote> "-mkl=sequential"?<br><br> it works only for ifort, I guess. Thanks for the info.<br> I wrote a dumb version of configure.ac and it seems to work.<br><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> _______________________________________________<br> Q-e-developers mailing list<br> <a href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a><br> <a href="http://qe-forge.org/mailman/listinfo/q-e-developers">http://qe-forge.org/mailman/listinfo/q-e-developers</a><br><br><br>_______________________________________________<br>Q-e-developers mailing list<br><a href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a><br>http://qe-forge.org/mailman/listinfo/q-e-developers<br></blockquote><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>_______________________________________________<br>Q-e-developers mailing list<br><a href="mailto:Q-e-developers@qe-forge.org">Q-e-developers@qe-forge.org</a><br>http://qe-forge.org/mailman/listinfo/q-e-developers<br></blockquote></div><br><div apple-content-edited="true">
<div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; 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-align: -webkit-auto; 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-align: -webkit-auto; 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-align: -webkit-auto; 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-align: -webkit-auto; 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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 2; border-spacing: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">--<br>Mr. Filippo SPIGA, M.Sc.</div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><a 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></div>
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