[Wien] fail to install Wien2k 18

[Gavin Abo]

The Ubuntu 14, is it 14.04 LTS?  I was able to resolve the "WORD TOO 
LONG" error in 14.04 LTS by changing csh to tcsh in the first line of 
siteconfig_lapw [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17866.html 
].

What version of tcsh do you have?  The tcsh version I have in 14.04 LTS 
is 6.18.01-2:

username at computername:~/Desktop$ dpkg -l tcsh
Desired=Unknown/Install/Remove/Purge/Hold
| 
Status=Not/Inst/Conf-files/Unpacked/halF-conf/Half-inst/trig-aWait/Trig-pend
|/ Err?=(none)/Reinst-required (Status,Err: uppercase=bad)
||/ Name           Version      Architecture Description
+++-==============-============-============-=================================
ii  tcsh           6.18.01-2    amd64        TENEX C Shell, an enhanced 
versio

If you have an older version of tcsh installed, you might have to update 
and upgrade it [ 
https://askubuntu.com/questions/94102/what-is-the-difference-between-apt-get-update-and-upgrade 
].  If you have an older version of tcsh installed, perhaps try:

username at computername:~/Desktop$ sudo apt upgrade tcsh

You might consider using a newer Ubuntu 18.04.1 LTS [ 
https://www.ubuntu.com/download/desktop ].  If you plan to use 
BoltzTraP2 [ 
https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/ 
] for example, it needs the newer version of Python that I believe 14.04 
LTS does not have.

For the Fortran compiler, from my experience, it was easier to use 
Intel's ifort as a beginner.  The reason for this is probably due to the 
developers using ifort and also a larger user base (e.g., more ifort 
user posts in the WIEN2k mailing list). However, ifort is not free 
unless you qualify [ 
https://software.intel.com/en-us/qualify-for-free-software ]. Though, 
one may encounter the 2016/2017/2018 compiler issues [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17317.html 
].  I don't recall seeing any reports in the mailing list yet on how 
well WIEN2k is working with the initial release of the 2019 compiler, 
but that is probably because it was recently released (in Sept. 2018) [ 
https://software.intel.com/en-us/articles/intel-parallel-studio-xe-release-notes-and-new-features 
].

The gfortran compiler seems to be the popular free compiler for WIEN2k, 
but likely due to a smaller user base and the compiler not being used by 
developers, WIEN2k is less tested with it such that you are likely to 
encounter unresolved problems with it.

On 9/26/2018 12:33 AM, Chi Ho Wong wrote:
> Hello,
>
> I am completely new to Linux while I try to install 'Wien2K 18.2 
> running in Ubuntu 14. When I type ./siteconfig_lapw , the error 
> message: " WORD TOO LONG" appears. I have F95 compiler. F95 should be 
> better than F90.
>
> I have followed the instruction below but still fails
>
> http://wien.zeus.theochem.tuwien.ac.narkive.com/crldBHFO/wien2k-17-1
>
> Any advice please? Thank you
>
> I also try WIEN2k_18.2_executables.tar where no F90 compile is needed  
> but still fails to install Wien2K
>
> Best regards
> Roy