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<p>What Intel Fortran version did you use to compile WIEN2k (e.g.,
terminal command: ifort -v)? What serial compiler settings did
you use to build dstart in single mode (e.g., terminal command:
cat $WIENROOT/WIEN2k_OPTIONS)?</p>
<p>There is a higher chance that the error is caused by a broken
version of the Intel Fortran or a problem with the compiler
settings (e.g., try compiling with -O0 to see if that helps [1],
and check that your are compiling with lp64 and NOT compiling with
ilp64 as maybe that could cause that error [2]).<br>
</p>
username@computername:~/wiendata/001$ ls -l<br>
total 16<br>
-rw-r--r-- 1 username username 13183 Jan 29 19:20 001.struct<br>
username@computername:~/wiendata/001$ init_lapw -b -rkmax 5<br>
...<br>
> dstart -c -p (20:02:27) starting parallel dstart at Mon
Jan 29 20:02:27 MST 2018<br>
-------- .machine0 : processors<br>
running dstart in single mode<br>
DSTART ENDS<br>
315.2u 0.7s 5:16.13 99.9% 0+0k 0+269168io 0pf+0w<br>
-----> new 001.in0 generated<br>
init_lapw finished ok <br>
<br>
[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04147.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04147.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08707.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08707.html</a><br>
<br>
<div class="moz-cite-prefix">On 1/29/2018 1:27 PM, Hamdy Barkaoui
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:963111776.4212691.1517257640671@mail.yahoo.com">
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:13px;">
<div>Dear users,</div>
<div><br>
</div>
<div>I am running Wien under fortran compiler. The purpose of my
calculations is to have the vibration modes of PbBr4 (1D
chain).</div>
<div>To do so, I generated, using the Phonopy program, 30
supercells starting from the PbBr4.struct. The problem is that
I did not </div>
<div>achieve the initialization. After running init_lapw from a
terminal on one of these supercells (001.struct; attached
file), and choosing the default parameters (except for
Rkmax=5), I obtained the following error (dstart phase):</div>
<div><br>
</div>
<div>
<div><font color="#4c76a2">starting parallel dstart at lundi
29 janvier 2018, 17:48:36 (UTC+0100)</font></div>
<div><font color="#4c76a2">-------- .machine0 : processors</font></div>
<div><font color="#4c76a2">running dstart in single mode</font></div>
<div><font color="#4c76a2">forrtl: severe (174): SIGSEGV,
segmentation fault occurred</font></div>
<div><font color="#4c76a2">Image PC
Routine Line Source </font></div>
<div><font color="#4c76a2">dstart
00000000004C7735 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
00000000004C54F7 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
0000000000474DF4 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
0000000000474C06 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
00000000004307A9 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
00000000004344E0 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">libpthread.so.0
00007F53C2B8C330 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
0000000000404B2E reallocate_mp_dor 224 module.F</font></div>
<div><font color="#4c76a2">dstart
000000000040D343 recpr_ 210 recpr.f</font></div>
<div><font color="#4c76a2">dstart
0000000000410E9B make_inter_ 21
make_inter.F</font></div>
<div><font color="#4c76a2">dstart
000000000040E54B MAIN__ 21 dstart.F</font></div>
<div><font color="#4c76a2">dstart
00000000004030DE Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">libc.so.6
00007F53C1F8DF45 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">dstart
0000000000402FE9 Unknown Unknown Unknown</font></div>
<div><font color="#4c76a2">5.6u 0.0s 0:05.85 97.9% 0+0k
0+60008io 0pf+0w</font></div>
<div><font color="#4c76a2">error: command
/home/versus/wien2k/dstartpara -c dstart.def failed</font></div>
<div><font color="#4c76a2"><br>
</font></div>
<div>I tried 2 others .struct files and I got the same error.
The 001.struct seems to be right. So I really don't
understand </div>
<div>what is happening. It would be great if someone can help
resolving this case.</div>
<div><br>
</div>
<div>Best,</div>
<div><br>
</div>
<div>Hamdi</div>
</div>
</div>
</blockquote>
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