<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=iso-2022-jp"><meta name=Generator content="Microsoft Word 14 (filtered medium)"><style><!--
/* Font Definitions */
@font-face
{font-family:"$B#M#S(B $B%4%7%C%/(B";
panose-1:2 11 6 9 7 2 5 8 2 4;}
@font-face
{font-family:"$B#M#S(B $B%4%7%C%/(B";
panose-1:2 11 6 9 7 2 5 8 2 4;}
@font-face
{font-family:"\@$B#M#S(B $B%4%7%C%/(B";
panose-1:2 11 6 9 7 2 5 8 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0mm;
margin-bottom:.0001pt;
text-align:justify;
text-justify:inter-ideograph;
font-size:10.5pt;
font-family:"Arial","sans-serif";}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
p.MsoPlainText, li.MsoPlainText, div.MsoPlainText
{mso-style-priority:99;
mso-style-link:"$B=q<0$J$7(B \($BJ8;z(B\)";
margin:0mm;
margin-bottom:.0001pt;
font-size:10.0pt;
font-family:"$B#M#S(B $B%4%7%C%/(B";}
span.17
{mso-style-type:personal-compose;
font-family:"Arial","sans-serif";
color:windowtext;}
span.a
{mso-style-name:"$B=q<0$J$7(B \($BJ8;z(B\)";
mso-style-priority:99;
mso-style-link:$B=q<0$J$7(B;
font-family:"$B#M#S(B $B%4%7%C%/(B";}
.MsoChpDefault
{mso-style-type:export-only;
font-family:"Arial","sans-serif";}
/* Page Definitions */
@page WordSection1
{size:612.0pt 792.0pt;
margin:99.25pt 30.0mm 30.0mm 30.0mm;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026">
<v:textbox inset="5.85pt,.7pt,5.85pt,.7pt" />
</o:shapedefaults></xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]--></head><body lang=JA link=blue vlink=purple style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoPlainText><span lang=EN-US>Dear Wien2k users and developers,<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>I am a new user of Wien2k package. I am working with wien2k 12.01 version on ubuntu 12.04, 32 bit version. As complier, Intel composer XE 2013 is employed. I am trying to set up a TB-mBJ calculation. During SCF calculation (SrTiO3), I also got following error massages in lapw0, which is previously reported in the mailing list.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>-----<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>hup: Command not found.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US> LAPW0 END<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>forrtl: severe (174): SIGSEGV, segmentation fault occurred<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Image PC Routine Line Source<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 0804BD7B c3fft_1_ 119 fftpack_helpers.f<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 08058188 fftpack_mp_c3fft_ 397 fft_modules.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 080D01FC vresp_ 106 vresp.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 080E482B xcpot3_ 147 xcpot3.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 080AB861 MAIN__ 1935 lapw0.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 0804A624 Unknown Unknown Unknown<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>libc.so.6 4154C4D3 Unknown Unknown Unknown<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>> stop error<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>------<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>According to the following mailing lists, <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07174.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07174.html</a><o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>fftpack library does not work well. Instead of fftpack, fftw3 were downloaded and installed as described in wien2k users guide (p190). However, unfortunately, following similar error massages appear.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>------<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>hup: Command not found.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US> LAPW0 END<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>forrtl: severe (174): SIGSEGV</span>$B!"(B<span lang=EN-US>segmentation fault occurred<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Image PC Routine Line Source <o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US> <o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 080E3A7B c3fft_1_ 170 zfft3d.f<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 0804ACB8 fftpack_mp_c3fft_ 397 fft_modules.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 080C2D2C vresp_ 106 vresp.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 080D735B xcpot3_ 147 xcpot3.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 0809E391 MAIN__ 1935 lapw0.F<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>lapw0 0804A624 Unknown Unknown Unknown<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>libc.so.6 4154C4D3 Unknown Unknown Unknown<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>> stop error<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>------<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>Can someone tell me how to solve this error?<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>Thank you very much in advance.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>Isao Ohkubo<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>----------------------------------------------------------------<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>Isao Ohkubo<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>National Institute for Materials Science (NIMS)<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>WPI Research Center,<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>International Center for Materials Nanoarchitectioncs (MANA)<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>Inorganic Nanostructures Unit, Atomic Network Materials Group<o:p></o:p></span></p><p class=MsoNormal align=left style='text-align:left'><span lang=EN-US style='font-size:10.0pt;font-family:"$B#M#S(B $B%4%7%C%/(B"'>E-mail: OHKUBO.Isao@nims.go.jp<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div></body></html>