I don't think that is a Ubuntu bug. It seemed to be intended behavior
for many Linux distributions as some programs don't safely run in
non-interactive mode as explained better in the reference [5] in the
post at:
https://www.mail-archive.com/[email protected]/msg18685.html
On 4/15/2021 6:12 AM, Takashi Nemoto wrote:
Dear Blaha
Thank you for answering.
I just understand the logic of script.
So, in case directory (shared "./"), we can set the granularity freely.
And in the case of (remote) local directory, granularity should be 1.
I misunderstood the "nonlocal SCRATCH".
Also, I know that the second problem comes from Ubuntu Linux,
but, for me, it is difficult to find what is wrong, and it takes long time
to fix it.
Again, thank you very much.
T. Nemoto
-----Original Message-----
From: Wien <[email protected]> On Behalf Of Peter
Blaha
Sent: Thursday, April 15, 2021 6:53 PM
To: [email protected]
Subject: Re: [Wien] bug report: WIEN2k-21.1 : lapw1para_lapw
Hi,
Thanks for the report, but I don't think that these are bugs with 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
No this is not a but and the logic is correct. Granularity MUST be 1, unless
you are storing the *vector* files directly in the (NFS shared) case
directory. Otherwise the possible load balancing may lead to a different
distribution in lapw1 and lapw2 and the code will not find the proper vector
files.
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
--------------
These lines are not coming from WIEN2k, but might be present on your
account/Linux version by default. I'd consider this as a bug of Ubuntu.
So, yes, if one has these lines, one should remove them. (I don't quite
understand the logic why one would like to have such lines ...)
Best regards
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