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/***@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:
***@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:
***@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/***@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.
Post by Chi Ho WongHello,
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