[Wien] bug report: WIEN2k-21.1 : lapw1para_lapw

Takashi Nemoto tnemoto at eels.kuicr.kyoto-u.ac.jp
Thu Apr 15 10:56:03 CEST 2021


Dear sirs,

At first, I am grad to get a new release of WIEN2k.

By the way, I found a small bug on script "lapw1para_lapw".
The check of local directory seems wrong.
"./" is usually NFS shared directory, so I think "!=" should be "==".
------------
if($?SCRATCH) then
   if($SCRATCH != "./" ) then
      set granularity = 1
      echo granularity set to 1 because of nonlocal SCRATCH variable
   endif
endif
--------------


Secondly, when running on Ubuntu Linux (20.04), the environment variables
are not set when remotely run through script.
remove the lines 4-9 of Ubuntu .bashrc (below) 
     ( or  moving WIEN setting to the beginning of .bashrc) is needed.
--------------
 If not running interactively, don't do anything
case $- in
    *i*) ;;
      *) return;;
esac
--------------


T. Nemoto



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