<div dir="ltr">Hi Sajjad,<div><br></div><div style>   Please see :  <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07175.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07175.html</a></div>
<div style><br></div><div style>   In my case, the changes in vresp.F gave rise to compilation errors, but my problem was solved changing only <span style="color:rgb(0,0,0);font-family:courier,&#39;courier new&#39;,monospace;font-size:14px;line-height:19px;white-space:pre-wrap">fft_modules.F.</span></div>
<div style><span style="color:rgb(0,0,0);font-family:courier,&#39;courier new&#39;,monospace;font-size:14px;line-height:19px;white-space:pre-wrap">  All the best,</span></div><div style><span style="color:rgb(0,0,0);font-family:courier,&#39;courier new&#39;,monospace;font-size:14px;line-height:19px;white-space:pre-wrap">             Luis</span></div>
</div><div class="gmail_extra"><br><br><div class="gmail_quote">2013/5/18 Muhammad Sajjad <span dir="ltr">&lt;<a href="mailto:sajjadpu@gmail.com" target="_blank">sajjadpu@gmail.com</a>&gt;</span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear WIen2k users<br><br>I am using Wien2k 12 version<br>I am performing mBj calculations. In the last step when I give the 


        
        
        
        command<br><font face="Liberation Serif, serif">runsp_lapw -cc 0.00001 -in1new 2 -i 100<br><br></font> 


        
        
        
        The following error appeared.<br><br>[msajjad@msajjad SCF1]$ <font face="Liberation Serif, serif">runsp_lapw -cc 0.00001 -in1new 2 -i 100</font><br> LAPW0 END<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>

Image              PC                Routine            Line        Source             <br>lapw0              0000000000404BF6  c3fft_1_                  119  fftpack_helpers.f<br>lapw0              0000000000412829  fftpack_mp_c3fft_         397  fft_modules.F<br>

lapw0              000000000047E542  vresp_                    106  vresp.F<br>lapw0              0000000000493E18  xcpot3_                   147  xcpot3.F<br>lapw0              000000000044BF0E  MAIN__                   1935  lapw0.F<br>

lapw0              00000000004038EC  Unknown               Unknown  Unknown<br>libc.so.6          00000034BF01ECDD  Unknown               Unknown  Unknown<br>lapw0              00000000004037E9  Unknown               Unknown  Unknown<br>

<br>&gt;   stop error<br><br> Can someone please help to overcome this problem?<br><br>Regards<br>M. Sajjad<br>

<br>_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:  <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
<br></blockquote></div><br></div>