[Wien] install WIEN2k_21.1 on Ubuntu 21.04

Victor Zenou zanov at post.bgu.ac.il
Tue Oct 12 13:31:27 CEST 2021


Dear Yundi
Adding intel64 didn;t improve, and from other answers its seems that I
need to change intel package

‫בתאריך יום ג׳, 12 באוק׳ 2021 ב-14:15 מאת ‪Yundi Quan‬‏ <‪yquan at ucdavis.edu‬‏>:‬
>
> The command should be
> "source /opt/intel/oneapi/setvars.sh intel64"
>
> https://stackoverflow.com/questions/67553895/how-to-source-the-setvars-sh-file-of-oneapi-inside-a-sh-file
>
> On Tue, Oct 12, 2021 at 7:12 PM Victor Zenou <zanov at post.bgu.ac.il> wrote:
>>
>> Dear all
>>
>> I’m trying to install WIEN2k_21.1 on Ubuntu 21.04.
>>
>> I updated and installed few system packages:
>>
>> sudo apt update
>>
>> sudo apt install build-essential gcc-multilib rpm default-jre-headless
>> python tcsh gnuplot
>>
>> sudo apt install autoconf libtool ghostscript octave
>>
>>
>> I downloaded and installed “Intel® oneAPI Base Toolkit” which suppose
>> to have ifort complier and mkl. I also add a line to bashrc:
>>
>> source /opt/intel/oneapi/setvars.sh
>>
>>
>>
>> The command “ifort -v”, gives “Command 'ifort' not found,...”
>>
>>
>> ./siteconfig_lapw give the following message:
>>
>> It seems you do not have the intel fortran compiler in your path.
>>
>>
>> So it seems that my intel compiler either dio not exist or not in the path.
>>
>> How can I check that/
>>
>>
>> Any suggestions on how to proceed?
>>
>>
>> Best regards, victor Zenou
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>
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