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<p>You should compile all programs again with siteconfig. However,
before you do that, you must change your compiler settings to
target the correct architecture for your system.</p>
<blockquote type="cite"><span><span
style="font-family:sans-serif;font-size:12.8px">ifort -o ./nn
struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o
bvan.o -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
-traceback -03 -AVX -L/opt/intel/compilers_and_</span><span
style="font-family:sans-serif;font-size:12.8px">libraries_2018.2.199/linux/</span><span
style="font-family:sans-serif;font-size:12.8px">mkl/lib/
-pthread -i -static</span></span></blockquote>
<br>
I don't know for sure, but maybe it is because your system processor
doesn't support AVX. I would try removing the -AVX in siteconfig
from your compiler settings.<br>
<br>
However, since you have to compile again, I recommend using WIEN2k
18.2. I think there are some programs that do not work when WIEN2k
17.1 is compiled with the Intel 2018 compiler without it being
patched. To patch WIEN2k 17.1, it is now better to update the
individual packages according to the WIEN2k website [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ], but it
becomes WIEN2k 18.2 anyway when you do that. Since multiple
individual packages of WIEN2k 17.1 have to be updated, something can
more easily go wrong. Thus, I suggest installing WIEN2k 18.2
directly rather than trying to update the packages individually.<br>
<br>
<div class="moz-cite-prefix">On 7/20/2018 12:36 AM, Subhasis Panda
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAG7KuRVubX1ruodCDEMgTwQZW6ts=n+uzadVnsEOyoHd3tUguA@mail.gmail.com">
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<div dir="auto">Dear Sir,
<div dir="auto">As suggested by you, we checked for the nn
directory in Wienroot & it was not there. So we copy it
from SRC_nn. Then ls - l command show read write option but
not excution option (x). So by chmod +x we make it excutable
option. Then from w2web initialize caln following errors are
showing.</div>
<div dir="auto"><br>
</div>
<div dir="auto"><span style="font-family:sans-serif">/home/anupriya/WIEN2k_17.1/nn</span><br>
</div>
<div dir="auto"> : Exec format error. Wrong Architecture<br>
</div>
<div dir="auto"><span style="font-family:sans-serif"><br>
</span></div>
<div dir="auto"><span style="font-family:sans-serif">error:
command /home/anupriya/WIEN2k_17.1/nn nn.def failed</span></div>
<div dir="auto"><span style="font-family:sans-serif"> n stop
error n</span></div>
<br>
<div class="gmail_extra" dir="auto">Kindly suggest what to do.</div>
</div>
</blockquote>
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