<div dir="ltr"><div class="gmail_default" style="font-family:arial narrow,sans-serif">Compile time errors (if any) were:<br>SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit status<br>SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1<br>SRC_lapw0/compile.msg:make: *** [seq] Error 2<br>.<br>.<br>.<br>.<br></div><div class="gmail_default" style="font-family:arial narrow,sans-serif">and compile.msg error is-<br>/usr/bin/ld: cannot find -lxcf03<br>/usr/bin/ld: cannot find -lxc<br>collect2: error: ld returned 1 exit status<br>Makefile:130: recipe for target 'lapw0' failed<br>make[1]: *** [lapw0] Error 1<br>make[1]: Leaving directory '/home/ram/WIEN2k/SRC_lapw0'<br>Makefile:119: recipe for target 'seq' failed<br>make: *** [seq] Error 2<br>make: *** No rule to make target 'complex'. Stop.<br></div><div class="gmail_default" style="font-family:arial narrow,sans-serif"><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Aug 3, 2018 at 7:13 AM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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See:
<a class="m_-1974950674922421330moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17212.html" target="_blank">https://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/msg17212.html</a><div><div class="h5"><br>
<br>
<div class="m_-1974950674922421330moz-cite-prefix">On 8/2/2018 9:04 AM, Ramsewak Kashyap
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div class="gmail_default" style="font-family:arial narrow,sans-serif"><br clear="all">
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<div style="font-family:arial narrow,sans-serif" class="gmail_default">I have update wien2k 18.2 and running
the TiC example. Calculation giving this error<br>
<br>
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<br>
<pre>next is setrmt
next is nn
STOP NN ENDS
specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax (about 1.d-5, 20)]
DSTMAX: 20.000000000000000
iix,iiy,iiz 5 5 5 42.213744999999996 42.213744999999996 42.213744999999996
NAMED ATOM: Ti1 Z changed to IATNR+999 to determine equivalency
NAMED ATOM: C 1 Z changed to IATNR+999 to determine equivalency
ATOM 1 Ti1 ATOM 2 C 1
RMT( 1)=2.19000 AND RMT( 2)=1.79000
SUMS TO 3.98000 LT. NN-DIST= 4.22137
ATOM 2 C 1 ATOM 1 Ti1
RMT( 2)=1.79000 AND RMT( 1)=2.19000
SUMS TO 3.98000 LT. NN-DIST= 4.22137
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
next is sgroup
> sgroup (20:33:41) 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
Names of point group: m-3m 4/m -3 2/m Oh
Names of point group: m-3m 4/m -3 2/m Oh
Number and name of space group: 225 (F m -3 m)
next is symmery
> symmetry (20:33:41) SPACE GROUP CONTAINS INVERSION
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
next is lstart
SELECT XCPOT:
recommended: PBE [(13) GGA of Perdew-Burke-Ernzerhof 96]
LDA [( 5)]
WC [(11) GGA of Wu-Cohen 2006]
PBESOL [(19) GGA of Perdew etal. 2008]
SELECT ENERGY to separate core and valence states:
recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)
ALTERNATIVELY: specify charge localization (between 0.97 and 1.0) to select core state
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
STOP LSTART ENDS
> inputfiles prepared (20:33:41)
inputfiles prepared
next is kgen
STOP KGEN ENDS
NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
length of reciprocal lattice vectors: 1.289 1.289 1.289 10.000 10.000 10.000
47 k-points generated, ndiv= 10 10 10
next is dstart
> dstart -p (20:33:42) running dstart in single mode
dstart: error while loading shared libraries: libopenblas.so.0: cannot open shared object file: No such file or directory
0.004u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/ram/WIEN2k/dstartpara dstart.def failed
n stop error n </pre>
-- <br>
<div class="m_-1974950674922421330gmail_signature">
<div dir="ltr">
<div>Ramsewak Kashyap<br>
Saha Institute of Nuclear Physics<br>
9473811023</div>
</div>
</div>
</div>
</blockquote>
</div></div></div>
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<br></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div>Ramsewak Kashyap<br>Saha Institute of Nuclear Physics<br>9473811023</div></div></div>
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