<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hallo,<br>We need some help.<div>We can’t manage to get WIEN2k version 09.2 working. <div>We downloaded the last version of the program (09.2) and </div><div>compiled it with ifort version 11.1. </div><div>The compilation went out without any problem, none that<br>would appear on logs, however, trying to run lapw1 on any job or even<br>the benchmark tests results in the following message:<br><br>--- Begin error message ---<br>forrtl: severe (168): Program Exception - illegal instruction<br>Image PC Routine Line<br>Source<br>lapw1c 00000000004BAA2D Unknown Unknown Unknown<br>lapw1c 000000000047191B Unknown Unknown Unknown<br>lapw1c 000000000042B010 hamilt_ 376<br>hamilt_tmp_.F<br>lapw1c 000000000041B294 calkpt_ 156<br>calkpt_tmp_.F<br>lapw1c 000000000043DB3C MAIN__ 60 lapw1_tmp_.F<br>lapw1c 000000000041221C Unknown Unknown Unknown<br>libc.so.6 00002AC2B6665526 Unknown Unknown Unknown<br>lapw1c 0000000000412119 Unknown Unknown Unknown<br>--- End error message ---<br><br>It also creates the file 'lapw1.error' which contains only 'Error in<br>LAPW1'.<br><br>The options to compile the program were the following:<br><br>System: Option K (Linux --- Intel ifort 11.x compiler + mkl)<br>Compiler options:<br> All recommended settings but R_LIB, where I used the following flags<br>(as recommended by Intel's site):<br> /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_solver_lp64.a<br> -Wl,--start-group<br> /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_intel_lp64.a<br> /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_intel_thread.a<br> /opt/intel/ifort/11.1/069/mkl/lib/em64t/libmkl_core.a -Wl,--end-group<br> -openmp -lpthread -lguide<br>Dimension parameters:<br> I've tried a bunch of settings but none seemed to change results,<br>the last one was:<br> NMATMAX=20000<br> NUME=2000<br><br>We’ve also tried gcc-fortran compiler with gotolib2 library (in fact this<br>was our first try), nevertheless we got the same problems except for the<br>fact that there was no Program Exception message, only the 'lapw1.error'<br>file and the process would never end. The compilation was also clean of<br>errors.<br><br>We are working on an Intel Core2 Quad Q8200 2.33GHz, 4Gb RAM. Slackware13<br>Linux 64bit, kernel 2.6.29.6, able of running and compiling 32bit<br>binaries as well (multilib enabled). Well, we don’t know if this is<br>relevant but these are the versions of my libraries: gcc-4.3.3 and<br>glibc-2.9.<br><br>We really hope anyone could help, it would really be appreciated. Thanks<br>in advance.<br><br>best regards,</div><div>jose fernando chubaci </div><div>Caio A. Prado<br></div><br><br><div>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">*************************************************************************</font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Jose Fernando Diniz Chubaci<span class="Apple-converted-space"> </span>< <a href="mailto:chubaci@if.usp.br">chubaci@if.usp.br</a>></font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Laboratorio de Cristais Ionicos, Filmes Finos e Datacao - LACIFID</font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Departamento de Fisica Nuclear - DFN</font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Instituto de Física, Universidade de Sao Paulo - IF USP<span class="Apple-converted-space"> </span></font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Caixa Postal: 66.318</font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">05315-970 - Sao Paulo, SP, Brasil</font></p>
<p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Fone:<span class="Apple-converted-space"> </span>+55-11-3091-6990; Fax: +55-11-3031-2742<span class="Apple-tab-span" style="white-space:pre"> </span></font></p>
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