[Wien] errors @ wien2k_21.1 compilation

[venky ch]

Dear Prof. Gerhard & Prof. Marks

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.

thanks

Venkatesh
Postdoctoral Fellow,
Department of Instrumentation and Applied Physics
IISc Bangalore, India


On Wed, Aug 4, 2021 at 6:21 PM Laurence Marks <laurence.marks at gmail.com>
wrote:

> 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.
>
> 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.
>
> _____
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Györgyi
> www.numis.northwestern.edu
>
> On Wed, Aug 4, 2021, 07:15 Fecher, Gerhard <fecher at uni-mainz.de> wrote:
>
>> libc does not belong to the Intel OneApi but to your operating system
>>
>> youre problems are certainly not caused by Wien2k
>>
>> Ciao
>> Gerhard
>>
>> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
>> "I think the problem, to be quite honest with you,
>> is that you have never actually known what the question is."
>>
>> ====================================
>> Dr. Gerhard H. Fecher
>> Institut of Physics
>> Johannes Gutenberg - University
>> 55099 Mainz
>> ________________________________________
>> Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von venky
>> ch [chvenkateshphy at gmail.com]
>> Gesendet: Mittwoch, 4. August 2021 12:12
>> An: A Mailing list for WIEN2k users
>> Betreff: Re: [Wien] errors @ wien2k_21.1 compilation
>>
>> Dear Prof. Gavin,
>>
>> 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"
>>
>> After I started compilation of Wien2k, I have arrived again errors as
>> given below,
>>
>> ===========
>> 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
>> ifort: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by
>> ifort)
>> 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)
>> make[1]: *** [cputim.o] Error 1
>> make[1]: Leaving directory
>> `/home/proj/21/isuch/soft/wien2k_install/21/SRC_lapw0'
>> make: *** [seq] Error 2
>> ==========
>>
>> Not only this, when I tried to recompile the "libxc-5.1.5", it also gave
>> me the error as given below
>>
>> =========
>>
>> configure:3527: icc --version >&5
>> icc: /lib64/libc.so.6: version `GLIBC_2.14' not found (required by icc)
>> 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)
>>
>> ===========
>>
>>
>> But when I run "strings libgcc_s.so.1 | grep GLIBC"
>>
>> [isuch at delta-cluster lib64]$ pwd
>> /home/proj/21/isuch/intel/oneapi/inspector/2021.3.0/lib64
>> [isuch at delta-cluster lib64]$ strings libgcc_s.so.1 | grep GLIBC
>> GLIBC_2.14
>> GLIBC_2.2.5
>>
>> Kindly let me know is happening with the new compilers. I have also
>> attached the WIEN2k_OPTIONS file here for your reference.
>>
>> thanks
>>
>> Venkatesh
>> Postdoctoral Fellow,
>> Department of Instrumentation and Applied Physics
>> IISc Bangalore, India
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>>
>> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!Eu4Dvdj_Dg7hDYEW8bX7m13HKTq4OKeNQK3ELux7c7fjExk5Fbt1gRkAgn-QA_F7EZGLiA$
>> SEARCH the MAILING-LIST at:
>> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Eu4Dvdj_Dg7hDYEW8bX7m13HKTq4OKeNQK3ELux7c7fjExk5Fbt1gRkAgn-QA_HOKo05Dg$
>>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20210806/031d1bec/attachment.htm>