<div dir="ltr">Dear Prof. Gerhard & Prof. Marks<div><br></div><div>Thanks for your replies. I will talk to the cluster admin within the department regarding this issue. Meanwhile, I got an account in the HPC of my Institute and installed the Wien2k_21 successfully there. While running the parallel calculation, I have an error which will be mentioned in a new thread in the wien2k mailing list. </div><div><br></div><div>thanks</div><div><br clear="all"><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Venkatesh<div>Postdoctoral Fellow, </div><div>Department of Instrumentation and Applied Physics </div><div>IISc Bangalore, India</div></div></div></div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Aug 4, 2021 at 6:21 PM Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto"><div>To clarify Gerhard's email, you made some mistake when you installed oneapi. I have no idea what, probably nobody else has. I suggest that you uninstall it, reboot then install again, ensuring that pre-requisites are found.</div><div dir="auto"><br></div><div dir="auto">You should probably after you uninstall it, do a complete update of your OS. I suspect that it is old, and has obsolete & maybe broken parts. A guess.<br><br><div dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a></div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Wed, Aug 4, 2021, 07:15 Fecher, Gerhard <<a href="mailto:fecher@uni-mainz.de" target="_blank">fecher@uni-mainz.de</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">libc does not belong to the Intel OneApi but to your operating system<br>
<br>
youre problems are certainly not caused by Wien2k<br>
<br>
Ciao<br>
Gerhard<br>
<br>
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:<br>
"I think the problem, to be quite honest with you,<br>
is that you have never actually known what the question is."<br>
<br>
====================================<br>
Dr. Gerhard H. Fecher<br>
Institut of Physics<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
________________________________________<br>
Von: Wien [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" rel="noreferrer" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>] im Auftrag von venky ch [<a href="mailto:chvenkateshphy@gmail.com" rel="noreferrer" target="_blank">chvenkateshphy@gmail.com</a>]<br>
Gesendet: Mittwoch, 4. August 2021 12:12<br>
An: A Mailing list for WIEN2k users<br>
Betreff: Re: [Wien] errors @ wien2k_21.1 compilation<br>
<br>
Dear Prof. Gavin,<br>
<br>
thanks for your email. I have installed the mkl library. But I don't notice any library "libc.so.6" in the entire local folder. But when I used to try "which icc", this leads to "/intel/oneapi/compiler/2021.3.0/linux/bin/intel64/icc"<br>
<br>
After I started compilation of Wien2k, I have arrived again errors as given below,<br>
<br>
===========<br>
ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/home/proj/21/isuch/intel/oneapi/mkl/2021.3.0/include -I/home/proj/21/isuch/intel/oneapi/mpi/2021.3.0/include -DLIBXC -I/home/proj/21/isuch/soft/libxc_install/include -DFFTW3 -I/home/proj/21/isuch/soft/fftw/include -qopenmp -c cputim.f<br>
ifort: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by ifort)<br>
ifort: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /home/proj/21/isuch/intel/oneapi/inspector/2021.3.0/lib64/libgcc_s.so.1)<br>
make[1]: *** [cputim.o] Error 1<br>
make[1]: Leaving directory `/home/proj/21/isuch/soft/wien2k_install/21/SRC_lapw0'<br>
make: *** [seq] Error 2<br>
==========<br>
<br>
Not only this, when I tried to recompile the "libxc-5.1.5", it also gave me the error as given below<br>
<br>
=========<br>
<br>
configure:3527: icc --version >&5<br>
icc: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by icc)<br>
icc: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by /home/proj/21/isuch/intel/oneapi/inspector/2021.3.0/lib64/libgcc_s.so.1)<br>
<br>
===========<br>
<br>
<br>
But when I run "strings libgcc_s.so.1 | grep GLIBC"<br>
<br>
[isuch@delta-cluster lib64]$ pwd<br>
/home/proj/21/isuch/intel/oneapi/inspector/2021.3.0/lib64<br>
[isuch@delta-cluster lib64]$ strings libgcc_s.so.1 | grep GLIBC<br>
GLIBC_2.14<br>
GLIBC_2.2.5<br>
<br>
Kindly let me know is happening with the new compilers. I have also attached the WIEN2k_OPTIONS file here for your reference.<br>
<br>
thanks<br>
<br>
Venkatesh<br>
Postdoctoral Fellow,<br>
Department of Instrumentation and Applied Physics<br>
IISc Bangalore, India<br>
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