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<p>/home/shruti/wien2k/<font color="#ff8000">lapw0</font>: Command
not found. <font color="#0000ff"><= As your error message
says, it cannot find the <font color="#ff8000">lapw0</font>
file in your directory <font color="#000000">/home/shruti/wien2k</font>.</font></p>
<p>Run siteconfig again and check if it compiled correctly. It
looks like the following on my system with WIEN2k 23.2, but it
should look similar on your computer:<br>
</p>
<p>username@computername:~$ cd $WIENROOT<br>
username@computername:~/WIEN2k$ ls -l lapw0<br>
ls: cannot access 'lapw0': No such file or directory <font
color="#0000ff"><= This means the lapw0 file does not exist
yet.</font><br>
username@computername:~/WIEN2k$ ./siteconfig<br>
...<br>
Selection: R<br>
...<br>
Selection: S<br>
Which program to recompile? lapw0<br>
...<br>
ifort -o ./lapw0 cputim.o modules.o libxc_mod.o W2kinit.o
fft_modules.o reallocate.o acggac.o ainv.o ak13.o am05_xscss.o
b88.o br89.o brj.o cap.o charge.o chfac.o chslv.o corgga.o
corpbe_revtpss.o corpbe_tpss.o cub_xc_back.o corlsd.o dergl.o
dfxhpbe.o dfxrevtpss.o dfxtpss.o dfundr.o dylm.o efg.o energy.o
epot1.o eramps.o errclr.o errflg.o ev92.o ev92ex.o exch.o fxhpbe.o
fx_revtpss.o fx_tpss.o gbass.o gbj.o gcor.o getff1.o getfft.o
gpoint.o gpointL.o gpointm.o grans.o gtfnam.o hcthc.o hcthx.o
hjs.o htbs.o id_func_get.o ifflim.o inputpars.o kcis.o lapw0.o
latgen.o lb94.o libxc.o lyp.o mbeefx.o mgga_ms.o multfc.o multsu.o
mvsx.o optb86b.o optb88.o outerr.o pbea.o pbec.o pbeint.o pbex.o
poissn.o potfac.o pwxad4.o pwxad5.o readstruct.o rean_direct_fft.o
rean0.o rean3.o rean4.o rge2.o rhopw.o rotate.o rotdef.o rpbe.o
rscanc.o rscanx.o r2scanc.o r2scanx.o scanc.o scanx.o setff0.o
setff1.o setfft.o setff2.o sortag.o sg4c.o sg4x.o sicpbe.o
sicpbe_revtpss.o sicpbe_tm.o sicpbe_tpss.o sphbes.o spline.o
srolyl.o stern.o sumfac.o suml.o SymmRot.o tmx.o vpw91.o vresp.o
vs98.o vwn5.o vxclm2.o vxcpw2.o vx_screened.o wc05.o workf1.o
W2kutils.o xcener.o xcpot.o xcpot1.o xcpot1Q.o xcpot3.o ykav.o
ylm.o coulint.o c_alpha_m.o gaunt.o notri.o t3j0.o t3j.o ph.o
finl_elect_str.o kahan_summ_gxyz.o stress_gga.o -O -FR -mp1 -w
-prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume
buffered_io -I/opt/intel/oneapi/mkl/2022.1.0/include -DFFTW3
-I/home/username/fftw-3.3.10/include -qopenmp
-L/opt/intel/oneapi/mkl/2022.1.0/lib/ -lpthread -lm -ldl -liomp5
-L/home/username/fftw-3.3.10/lib -lfftw3 -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core <br>
make[1]: Leaving directory '/home/username/WIEN2k/SRC_lapw0'<br>
if [ -f /include/xc_funcs.h ]; then cp /include/xc_funcs.h .; fi<br>
make: *** No rule to make target 'complex'. Stop.<br>
Copying programs<br>
SRC_lapw0/lapw0<br>
SRC_lapw0/lapw0_mpi<br>
<br>
done.<br>
<br>
Compile time errors (if any) were:<br>
grep: No match. <font color="#0000ff"><= You should get this
message or it should be blank if it compiled lapw0 without
errors. Else, you should get a error message here it if failed
that you will have to resolve.</font><br>
grep: No match.<br>
<br>
<br>
Check file compile.msg in the corresponding SRC_* directory
for the <br>
compilation log and more info on any compilation problem.<br>
<br>
Press RETURN to continue<br>
...<br>
Selection: Q<br>
username@computername:~/WIEN2k$ ls -l lapw0<br>
-rwxrwxr-x 1 username username 4457752 Jul 13 22:58 lapw0 <font
color="#0000ff"><= If successful, you should know have a
lapw0 file that was generated by siteconfig.</font><br>
</p>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 7/13/2023 10:25 PM, Rao Shruti Arya
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAOeY8kBXqSzFScg=fTLg6uKRa-vn_F4oHFAB88tk1Kcp2Pf2Gw@mail.gmail.com">
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<div dir="ltr">
<div>Respected sir <br>
</div>
<div>when i do scf calculation then following error comes out <br>
</div>
<div>
<pre>> stop error
grep: lapw1*.error: No such file or directory
grep: lapw1*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: *scf1*: No such file or directory
/home/shruti/wien2k/lapw0: Command not found.
</pre>
</div>
</div>
</blockquote>
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