[Wien] Error in Installation of Wien2k
Peter Blaha
peter.blaha at tuwien.ac.at
Fri Dec 27 19:09:40 CET 2024
Obviously, you are NOT reading the messages the various programs/mails
tell you.
Did you follow the recent discussions about ifort and ifx in the
mailing list ???
Most likely at the moment an unexperienced user CANNOT use the latest
OneAPI versions.
In your siteconfig you still use ifort as compiler name and got the
following message:
make: ifort: No such file or directory
What do you think could be the reason for this message:
It simply means, the program ifort does NOT exist on your computer
(in your path). Why is this ? If you have read the many mails on the
mailing list you should know that ifort does not exist anymore in
recent OneAPI versions and has been replaced by ifx.
However, at the moment it is not clear if IWEN2k can be compiled by ifx.
I recommend to use gfortran and openblas at the moment.
There were recent posts on the mailing list with detailed instructions
for gfortran+openblas on some Linux systems.
Regards
PS: You also did not realize that your mail did not go through, since
there is a size limit and you have to remove long "old" mails in the reply.
---------------------------------------------------------
From: 9015neetu at gmail.com
Subject: Re: [Wien] Error in Installation of Wien2k
Dears,
I managed to remove the warning from the terminal, the issue was that
there was a duplicate entry of source /opt/intel/oneapi/setvars.sh in
the .bashrc file.
But hello world program is not running, with below error:
$ ifx –o hello hello.f90
ifx: error #10236: File not found: '–o'
ifx: error #10236: File not found: 'hello'
Moreover, also facing the warning and errors at the end while doing
compilation of Wien2k via ./siteconfig_lapw :
ifort -c -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io -I/opt/intel/oneapi/mkl/2025.0/include blas_lapw1.f
make: ifort: No such file or directory
....
--
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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