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<p>Thank you, I will check it<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de Laurence Marks <L-marks@northwestern.edu><br>
<b>Enviado:</b> lunes, 12 de diciembre de 2016 05:41:16 p. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users<br>
<b>Asunto:</b> Re: [Wien] WIEN2k_16</font>
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<div dir="ltr">I just checked the single SRC_mixer.tar.gz, and cannot reproduce your error with mixer, I suspect you did not download it correctly and/or you have the old Makeflle not the new one. Did you go through the steps of configuring the system etc?
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<div>N.B., I also don't see 14.2 Version -- similarly I suspect you did not go through all the steps. </div>
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<div class="gmail_quote">On Mon, Dec 12, 2016 at 3:00 PM, delamora <span dir="ltr">
<<a href="mailto:delamora@unam.mx" target="_blank">delamora@unam.mx</a>></span> wrote:<br>
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<p>Thank you Professor Blaha,</p>
<p>I compiled it and found few errors;</p>
<p>1) In <a id="m_-7019096938661545328LPlnk470177" href="https://urldefense.proofpoint.com/v2/url?u=http-3A__susi.theochem.tuwien.ac.at_reg-5Fuser_wien2k-5Fdownload_&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=cchp6zpNtDBLeMuObcG1dk6VZqRB4ENUUF14mew7bzI&e=" class="m_-7019096938661545328x_OWAAutoLink" target="_blank">http://susi.theochem.<wbr>tuwien.ac.at/reg_user/wien2k_<wbr>download/</a></p>
<p><a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.xcrysden.org&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=MJCZ3TqONxaY8iUhiwciFW991jaC8U0YcUZS8abfM78&e=" target="_blank">XCRYSDENS</a>
=> <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.xcrysden.org&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=MJCZ3TqONxaY8iUhiwciFW991jaC8U0YcUZS8abfM78&e=" target="_blank">
XCRYSDEN</a></p>
<p>2) in siteconfig it says <br>
</p>
<p>version 14.2 and date july/15 => version 16 and date december /16</p>
<p>3) I compiled it and found an error</p>
<p>----------<br>
</p>
<p></p>
<div>Compile time errors (if any) were:<br>
SRC_mixer/compile.msg:make: *** [RegGCV.f] Error 1<br>
----------<br>
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so I tried to see the file "compile.msg" and I did not find it
<p></p>
<p>I also tried to find it in other SRC directories with no exit.</p>
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<p>Saludos</p>
<p><br>
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<p> Pablo<br>
</p>
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<div id="m_-7019096938661545328x_divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>De:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.<wbr>tuwien.ac.at</a>>
en nombre de Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>><br>
<b>Enviado:</b> lunes, 12 de diciembre de 2016 12:07:22 p. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users<br>
<b>Asunto:</b> [Wien] WIEN2k_16</font>
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<font size="2"><span style="font-size:10pt">
<div class="m_-7019096938661545328PlainText"><span class="">Dear WIEN2k users,<br>
<br>
Finally, after a delay of almost one year, a new version is ready for <br>
distribution. WIEN2k_16 contains a lot of improvements and bug fixes and <br>
is a highly recommended, important update.<br>
<br>
lapw0: new meta-GGAs, the libxc-library and plotting of tau, ..<br>
<br>
lapw1: faster matrix routines (in real-sequential mode, in NMR-mode (all <br>
eigenvalues) and in mpi-parallel mode (ELPA). It supports now HDLOs <br>
(basis with d^2 u(r) / d^2 E) for better linearization (mainly for d- <br>
and f-atoms and large spheres) and together with a larger NLSMAX value <br>
(case.in1) you can use large atomic spheres without loss of accuracy.<br>
<br>
lapwso: bug-fixes in mpi version (non-squared processor grids)<br>
<br>
lapw2: support for multiple LOs and HDLOs, dmats in lapw2<br>
<br>
hf: significant speedup (3 different modes for mpi-parallelization)<br>
<br>
mixer: new version<br>
<br>
x_nmr: Knight shift for metals, disk-space saving option<br>
<br>
BerryPI and wien2wannier: new versions<br>
<br>
various other changes, improved numerical stability (L.Marks), new <br>
scripts (Cgrace ...), support for SLURM (srun) queuing systems, ...<br>
------------------------------<wbr>------------------------------<wbr>----<br>
<br>
As usual, your wien2k-account is still valid for download of the new <br>
</span>version at <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.wien2k.at&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=swRTxK4bx35ihm7rMm_zG78ElIPPSKsMTGqne8MLUxw&e=" target="_blank">
http://www.wien2k.at</a><span class=""><br>
<br>
Peter Blaha<br>
-- <br>
------------------------------<wbr>------------------------------<wbr>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>
</span>Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WIEN2k:
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.wien2k.at&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=swRTxK4bx35ihm7rMm_zG78ElIPPSKsMTGqne8MLUxw&e=" target="_blank">
http://www.wien2k.at</a><br>
WWW: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.imc.tuwien.ac.at_staff_tc-5Fgroup-5Fe.php&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=h0bsocMQypqv0283igOsLc6A2DbMCoZTyEBYsLNp__s&e=" target="_blank">
http://www.imc.tuwien.ac.at/<wbr>staff/tc_group_e.php</a><span class=""><br>
------------------------------<wbr>------------------------------<wbr>--------------<br>
______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
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SEARCH the MAILING-LIST at: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=CwMFAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=6JDCJ99ar95TqgtOoXy0kNfePSNvfu6vUML1O5GflLA&s=vJfeYDVuLpii1Q3B5CXExsr1Oa82cZEJnUNBtB-T9dY&e=" target="_blank">
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<div dir="ltr"><span style="font-size:12.8px">Professor Laurence Marks</span><br>
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<div dir="ltr"><span style="font-size:12.8px">"Research is to see what everybody else has seen, and to think what nobody else has thought", </span><span style="font-size:12.8px">Albert Szent-Gyorgi</span><br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> ; <span style="font-size:12.8px">Corrosion in 4D:
</span><a href="http://MURI4D.numis.northwestern.edu" style="font-size:12.8px" target="_blank">MURI4D.numis.northwestern.edu</a>
<div><span style="font-size:12.8px">Partner of the CFW 100% program for gender equity, </span><a href="http://www.cfw.org/100-percent" style="font-size:12.8px" target="_blank">www.cfw.org/100-percent</a></div>
<div>Co-Editor, Acta Cryst A</div>
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