<div dir="ltr">Dear Gavin,<div><br></div><div> The problem is solved, but, how I don't know. I have just re do the initilization in this morning, & it works. I have encountered the similar problems before. Sometimes it is not working while sometimes it works...I have no clue why & how such thing happens..........</div><div><br></div><div>with regards,</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, 14 May 2020 at 06:48, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div>
<p>Currently, I'm using the source code package WIEN2k_19.2.tar from
the Code download [1] area of the WIEN2k website but with the
WIEN2k_VERSION.patch at [2] that adjusts the WIEN2k_VERSION file
from having version 19.1 to match the version 19.2 information
given on the WIEN2k website. The <span>Segmentation</span> <span>fault error seems to be particular to your
system (Linux operating system, Fortran compiler, etc.) as I was
NOT able to reproduce the error as seen below:<br>
</span></p>
<p>username@computername:~/wiendata/NiSbO4_V_14$ lsb_release -a<br>
No LSB modules are available.<br>
Distributor ID: Ubuntu<br>
Description: Ubuntu 20.04 LTS<br>
Release: 20.04<br>
Codename: focal<br>
username@computername:~/wiendata/NiSbO4_V_14$ gfortran -v<br>
...<br>
gcc version 9.3.0 (Ubuntu 9.3.0-10ubuntu2) <br>
username@computername:~/wiendata/NiSbO4_V_14$ cat
$WIENROOT/WIEN2k_VERSION<br>
WIEN2k_19.2 (Release 21/4/2020)<br>
username@computername:~/wiendata/NiSbO4_V_14$ ls<br>
NiSbO4_V_14.struct<br>
username@computername:~/wiendata/NiSbO4_V_14$ init_lapw -b<br>
...<br>
init_lapw finished ok <br>
username@computername:~/wiendata/NiSbO4_V_14$ x kgen<br>
NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3
divisions of G)<br>
300<br>
length of reciprocal lattice vectors: 0.656 0.674 0.763
6.307 6.479 7.342<br>
Shift of k-mesh allowed. Do you want to shift: (0=no, 1=shift)<br>
1<br>
45 k-points generated, ndiv= 6
6 6<br>
STOP KGEN ENDS<br>
0.0u 0.0s 0:04.27 0.4% 0+0k 0+136io 0pf+0w</p>
[1] <a href="http://www.wien2k.at/reg_user/index.html" target="_blank">http://www.wien2k.at/reg_user/index.html</a><br>
[2] <a href="https://github.com/gsabo/WIEN2k-Patches/tree/master/19.2" target="_blank">https://github.com/gsabo/WIEN2k-Patches/tree/master/19.2</a><br>
<div><br>
</div>
<div>On 5/13/2020 9:28 AM, shamik
chakrabarti wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">Dear Wien2k users,
<div> I have started simulation of
NiSbO4 (structure attached). During initialization I got the
following error (during x kgen):</div>
<div><br>
</div>
<div><span>Segmentation</span> <span>fault</span><br>
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>
error: command /usr/local/Wien2k/kgen kgen.def failed</div>
<div><br>
</div>
<div>I have given total k-point 300 which should give 14
k-points in irbz. I have also prepare a fresh directory &
did all the initialization properly, but getting the same
results always. </div>
<div><br>
</div>
<div>Looking forward to your reply eagerly.</div>
<div><br>
</div>
<div>with regards, <br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div style="font-size:small">Dr. Shamik
Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of
Physics</div>
<div style="font-size:small">Indian Institute of
Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
<blockquote type="cite"></blockquote>
</div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>