<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,'courier new',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,'courier new',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,'courier new',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"><<a href="mailto:sajjadpu@gmail.com" target="_blank">sajjadpu@gmail.com</a>></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>> stop error<br><br> Can someone please help to overcome this problem?<br><br>Regards<br>M. Sajjad<br>
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