<div dir="ltr">
<div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">Dear sir,</div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><br></div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><span style="font-size:12.8px">No output is showing after using the command "grep -ie error compile.msg".</span><br></div>
<span style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline">This is regarding installation of Wien2k 17.1 version on a desktop PC having core i7 with ubuntu</span><br style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><span style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline">16.04 operating system, fortran compiler ifort, math libraries MKL.</span>
<br><div><br></div><div>I have another problem.</div><div>
<div style="font-size:12.8px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">I have successfully installed wien2k.17.1 and boltztrap-1.2.5 in a laptop with core i5 and ubuntu 16.04 operating system. But while patching boltztrap-1.2.5 with w2web (with patch_for_wien17.1) I am getting the error "The w2web are patched now / BoltzTraP not installed, install BoltzTraP then run this script again".</div><div style="font-size:12.8px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">After giving ". ~/.bashrc" command BoltzTrap is patched with w2web. During the calculation of Boltztrap properties the following errors are encountered.<br></div><div style="font-size:12.8px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">1) In gather_enery step, sh: 1:<span> </span><a href="http://gather_energy.pl/" target="_blank" style="color:rgb(17,85,204)">gather_energy.pl</a>: not found.</div><div style="font-size:12.8px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">2) In the calculation of Boltzman transport properties step, sh: 1: x_trans: not found.</div><div style="font-size:12.8px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"> </div><div style="font-size:12.8px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">Looking for your suggestions..</div>
<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Jul 7, 2018 at 11:02 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto"><div>Use "grep -ie error compile.msg"; what you included are not errors<br><br><div class="gmail_quote"><span class=""><div dir="ltr">On Sat, Jul 7, 2018, 11:32 Subhasis Panda <<a href="mailto:onnyorup.iit@gmail.com" target="_blank">onnyorup.iit@gmail.com</a>> wrote:<br></div></span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><span class="">
<div dir="auto">Dear Sir,
<div dir="auto"><br>
<div dir="auto">
<div style="font-family:sans-serif;font-size:12.8px" dir="auto">As suggested by you errors from the compile.msg are as follows.. Kindly suggest me what to do now to fix it.</div>
<div style="font-family:sans-serif;font-size:12.8px" dir="auto"><br>
</div>
<span style="font-family:sans-serif;font-size:12.8px">rm -f struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o bvan.o struk.P variable_fields.P nn.P dirlat.P ord2.P reduce_alloc.P bvan.P nn.prj dirlat.prj ord2.prj reduce_alloc.prj bvan.prj struk.prj
variable_fields.prj \</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px"> nn.xref *.mod</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c struk.f</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c variable_fields.f</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c nn.f</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c dirlat.f</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c ord2.f</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c reduce_alloc.f</span><br style="font-family:sans-serif;font-size:12.8px">
<span style="font-family:sans-serif;font-size:12.8px">ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -03 -AVX -c bvan.f</span><br style="font-family:sans-serif;font-size:12.8px">
<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">lib<wbr>raries_2018.2.199/linux/</span><span style="font-family:sans-serif;font-size:12.8px">mkl/<wbr>lib/
-pthread -i -static</span><br>
</div>
</div>
</div>
<br>
</span><div class="gmail_quote"><span class="">
<div dir="ltr">On Fri, Jul 6, 2018, 3:43 PM Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at" rel="noreferrer" target="_blank">pblaha@theochem.tuwien.ac.at</a>> wrote:<br>
</div>
</span><div><div class="h5"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
The problem clearly says: nn not found.<br>
<br>
Most likely, the installation (compilation) did NOT work properly.<br>
<br>
Check for the presence of /home/anupriya/WIEN2k_17.1/nn<br>
<br>
if it does not exist,<br>
cd SRC_nn; cat compile.msg and check for errors.<br>
<br>
<br>
<br>
<br>
Am 05.07.2018 um 08:36 schrieb Subhasis Panda:<br>
> Dear All,<br>
> <br>
> I have installed Wien2k 17.1 version on a desktop PC having core i7 with <br>
> ubuntu<br>
> 16.04 operating system, fortran compiler ifort, math libraries MKL. When <br>
> I was generating the structure of any material, RMT is not calculated <br>
> automatically. Again if I am giving RMT manually and during initializing <br>
> the calculation the following error is found from the STDOUT file. <br>
> Kindly suggest me what to do.<br>
> <br>
> next is setrmt<br>
> next is nn<br>
> /home/anupriya/WIEN2k_17.1/nn: Command not found.<br>
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>
> error: command /home/anupriya/WIEN2k_17.1/nn nn.def failed<br>
> n stop error n<br>
> <br>
> <br>
> <br>
> <br>
> Thanks & regards<br>
> Subhasis<br>
> <br>
> -- <br>
> <br>
> <br>
> <br>
> Best regards from,<br>
> ------------------------------<wbr>------------------------------<br>
> Dr. Subhasis Panda<br>
> Assistant Professor<br>
> Department of Physics<br>
> National Institute of Technology Silchar<br>
> Assam, India - 788010.<br>
> <br>
> ------------------------------<wbr>------------------------------<wbr>-<br>
> <br>
> <br>
> ______________________________<wbr>_________________<br>
> Wien mailing list<br>
> <a href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="noreferrer noreferrer" target="_blank">
Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
> <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=9zg53TEQk7fDYaodW7ddROpikq9MiR-oHJvMerjMSVc&s=5ShJHxgCVVOD6JZmHvR9Wst_vdQBhVubGjANyY5NmTs&e=" rel="noreferrer noreferrer noreferrer" target="_blank">
http://zeus.theochem.tuwien.<wbr>ac.at/mailman/listinfo/wien</a><br>
> SEARCH the MAILING-LIST at: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=9zg53TEQk7fDYaodW7ddROpikq9MiR-oHJvMerjMSVc&s=I2bnhjbcdY2ogMxP_1UpKsSKECD6FvKLMfPUGkKAHQU&e=" rel="noreferrer noreferrer noreferrer" target="_blank">
http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/index.html</a><br>
> <br>
<br>
-- <br>
------------------------------<wbr>------------------------------<wbr>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" rel="noreferrer noreferrer" target="_blank">
blaha@theochem.tuwien.ac.at</a> WIEN2k: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.wien2k.at&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=9zg53TEQk7fDYaodW7ddROpikq9MiR-oHJvMerjMSVc&s=1bwCYMJ9CzRSy9Hv7MKKoTJIfiTv8GPzlivy5hkHv10&e=" rel="noreferrer noreferrer noreferrer" target="_blank">
http://www.wien2k.at</a><br>
WWW: <br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.imc.tuwien.ac.at_tc-5Fblaha-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D-2D&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=9zg53TEQk7fDYaodW7ddROpikq9MiR-oHJvMerjMSVc&s=6ZJmUmOSEruvUDzLtzNdHt5rZQdsdRpbwgTDv-QXIEo&e=" rel="noreferrer noreferrer noreferrer" target="_blank">http://www.imc.tuwien.ac.at/<wbr>tc_blaha----------------------<wbr>------------------------------<wbr>---------------------</a>
<br>
<br>
______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="noreferrer noreferrer" target="_blank">Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=9zg53TEQk7fDYaodW7ddROpikq9MiR-oHJvMerjMSVc&s=5ShJHxgCVVOD6JZmHvR9Wst_vdQBhVubGjANyY5NmTs&e=" rel="noreferrer noreferrer noreferrer" target="_blank">http://zeus.theochem.tuwien.<wbr>ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=9zg53TEQk7fDYaodW7ddROpikq9MiR-oHJvMerjMSVc&s=I2bnhjbcdY2ogMxP_1UpKsSKECD6FvKLMfPUGkKAHQU&e=" rel="noreferrer noreferrer noreferrer" target="_blank">
http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/index.html</a><br>
</blockquote>
</div></div></div>
</div>
</blockquote></div></div></div>
<br>______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.<wbr>ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/index.html</a><br>
<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div><div><br><br><br>Best regards from,<br><span style="font-family:trebuchet ms,sans-serif">------------------------------------------------------------</span><br style="font-family:trebuchet ms,sans-serif"><font style="color:rgb(102,102,102)" face="'comic sans ms', sans-serif" size="2">Subhasis Panda<br></font></div><font style="color:rgb(102,102,102)" face="'comic sans ms', sans-serif" size="2">Assistant Professor<br></font></div><font style="color:rgb(102,102,102)" face="'comic sans ms', sans-serif" size="2">Department of Physics<br></font></div><font style="color:rgb(102,102,102)" face="'comic sans ms', sans-serif" size="2">National Institute of Technology Silchar<br></font></div><font style="color:rgb(102,102,102)" face="'comic sans ms', sans-serif" size="2">Assam, India - 788010.<br></font><div><div><div><div><font style="color:rgb(102,102,102)" face="'comic sans ms', sans-serif" size="2"><br style="font-family:trebuchet ms,sans-serif"></font><span style="font-family:trebuchet ms,sans-serif">-------------------------------------------------------------</span><br></div></div></div></div></div></div></div></div></div></div></div></div>
</div>