ty
>> 55099 Mainz
>>
>> Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von venky
>> ch [chvenkatesh...@gmail.com]
>> Gesendet: Mittwoch, 4. August 2021 12:12
>> An: A Mailing list for WIEN2k users
>> B
ien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von venky
> ch [chvenkatesh...@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 ema
ittwoch, 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 use
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
You might need the oneAPI Base Toolkit since at [1], I see:
*Intel® oneAPI Base Toolkit*
General Compute
Intel® oneAPI Collective Communications Library
Intel® oneAPI Data Analytics Library
Intel® oneAPI Deep Neural Networks Library
Intel® oneAPI DPC++/C++ Compiler
Intel®
August 2021 11:48
> An: l-ma...@northwestern.edu
> Cc: A Mailing list for WIEN2k users
> Betreff: Re: [Wien] errors @ wien2k_21.1 compilation
>
> Dear Prof. Marks,
> Thanks for your email and suggestions. I have updated the mpi compiler and
> re-compiled the wie
Not a big surprise.
The routine pzheevr.f does not exist in Intels mkl from 2013.
You have to use a more recent ifort compiler.
The new oneAPI from Intel is free of charge.
Am 8/3/21 um 11:48 AM schrieb venky ch:
Dear Prof. Marks,
Thanks for your email and suggestions. I have updated the
3. August 2021 11:48
An: l-ma...@northwestern.edu
Cc: A Mailing list for WIEN2k users
Betreff: Re: [Wien] errors @ wien2k_21.1 compilation
Dear Prof. Marks,
Thanks for your email and suggestions. I have updated the mpi compiler and
re-compiled the wien2k again. Although, the earlier pro
Dear Prof. Marks,
Thanks for your email and suggestions. I have updated the mpi compiler and
re-compiled the wien2k again. Although, the earlier problems seem to be
solved. However, I have another error as given below.
This is related to "seclit_par_tmp_.F:(.text+0x4755): undefined reference
to
See
https://www.google.com/search?q=locale%3A+Cannot+set+LC_CTYPE+to+default+locale%3A+No+such+file+or+directory
1) If it is a cluster, ask the sys_admin
2) Reinstall/update your OS
3) Check your .bashrc and similar
4) Post to one of those lists. I know enough to know this is a problem, but
not
Dear Prof. Marks,
thanks for your reply. I have searched in the internet and tried to solve
it. But yet it is not solved . Whenever I tried with " export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/glibc-2.14/build ", there is an error
as shown in below. Can you suggest me what are steps to be
You have serious problems with how your computer/cluster is setup. These
need to be resolved for Wien2k to work, and for many other things as well.
The most obvious one is your locale, which you almost certainly cannot cure
by just using the -no-multibyte-chars flag.
You can look it up, but
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