<p>The fact that lapw0 did not compile properly should have warned you. There are patches for the fft routines for version 12.1 that need to be applied to both lapw0 & lapw2 if you are not using fftw. Please search the mailing list, apply these then recompile these programs.</p>
<p>I suspect that lapw2 did not work, but this was not correctly trapped. (I think this can occur in run_lapw but I have not tracked it down.) You can check case.output2, case.clmval and case.scf2.</p>
<p>After recompiling do "clean_lapw -s" then rerun and let us know.</p>
<p>As an aside, with only 4Gb of memory you are not going to be able to do much.</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Jun 7, 2013 11:16 PM, "Krisna Swaroop Sharma" <<a href="mailto:sharma.krishnaswaroop@gmail.com">sharma.krishnaswaroop@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div dir="ltr">Dear Prof. Marks
<div> Thank you for your prompt reply. The required details for installation of WIEN 2K12.1 adopted by us are as given here under:</div>
<div>System: Laptop LENOVO with INTEL chip, 4Gb ram and 230 Gb hard disk</div>
<div>Plate form: Ubuntu</div>
<div>Compilers: gfortran and gcc</div>
<div>V option chosen: gfortran and goto library</div>
<div>After compilation SRC_hf was not properly compiled, which was ignored by us </div>
<div>LAPW0 was also showing error. To solve this error LAPW0 in WIEN2K12 was replaced by LAPW0 from WIEN2K10, then it worked.</div>
<div>*It seems error might have occurred in SCR_hf and LAPW0 stages which were not correctly compiled. We do not know how to remedy these mistakes in compilation? May be some mistake we may have committed in giving options.</div>
<div><br>
</div>
<div>After configuration when we run the software for TiC problem to check proper installation of WIEN2K12.1, it was observed that </div>
<div>* w2web works well</div>
<div>* Struct_Gen also works well</div>
<div>* X-XRYSDEN works well and correct structure is obtained</div>
* All steps of Initialize calculation work fine without any error. We used w2web for initializing. We used default values, such as Potential used was default 96 version, cut off energy -6.0 eV, spin up, number of points 1000 and no spin polarization
<div> (rmt)minxkmax=7.0, gmin=10...., gmax=12.0. No mistake or warning was seen at any stage.<br>
<div>* On running scf cycle for energy convergence 0.0001 and charge convergence 0.001, in 1st cycle only Lapw0, Lapw1, Lapw2 and Lcore are done, but it gives error for mixer and stops. The error message is:</div>
<div>"error: command /root/Desktop/wien2k12/mixer mixer.def failed"</div>
<div>***glibc detected*** /root/Desktop/wien2k12/mixer:malloc(): memory corruption: 0x09b12008***</div>
<div>followed by Backtrace and Memory map which was sent by me in earlier mail</div>
<div>> stop error calculating TiC in /root/WIEN2k/TiC on serverLenovo-ideaPad-5400 with PID 21284 using WIEN2k_12.1 (Release 22/7/2012) in /root/Desktop/wien2k12</div>
<div>Day file was also sent in my last mail. The output of mixer in Day file is:</div>
<div>>mixer(04:47:29) Aborted</div>
<div>0.0u 0.0s 0.00.03 66.6% 0+0k 0+8io 0pf+ 0w</div>
<div>error:command /root/Desktop/wien2k12/mixer mixer.def failed</div>
<div>I hope with the details given as above some clue for the error committed by us may be possible. I hope if some guidelines are received we will be able to correctly compile WIEN2K12.1</div>
</div>
<div>With kind regards.</div>
<div>K.S.Sharma</div>
<div>The IIS University</div>
</div>
</div>
</blockquote></div>