It should be normal to have empty .error files. When the program is
running, it typically adds an ERROR text message to the file. The ERROR
text message is then removed to make the file empty if the program
completes successfully. So if the .error files are non-empty with an
ERROR message after the program stops running, then there are issues.
On 12/5/2019 2:25 PM, Ashwani Kumar wrote:
From: Ashwani Kumar <ashwani....@gmail.com <mailto:ashwani....@gmail.com>>
To: wien <wien@zeus.theochem.tuwien.ac.at
<mailto:wien@zeus.theochem.tuwien.ac.at>>
Cc:
Bcc:
Date: Fri, 6 Dec 2019 02:46:27 +0530
Subject: Fwd: Upgrade to WIEN2k_19.1_lapw2_error
No Dr. Marks, it's not oxalate. This one is HfO2 (Hafnia), 3
Non-equivalent atoms, monoclinic. Just to check wether everything is
right after installing w2k v19.1, hafnia structure executed for charge
n energy convergence (practiced lot in w2k v16).
Thanks Dr. Gavin and Dr. Blaha for the patch. It worked. "
'LAPW2'-can't open unit: 15 " error resolved. Reproduced TiC example
successfully however there are empty files of
lapw1.error,
lapw1_1.error,
lapw1_2.error,
lapw1_3.error,
lapw1_4.error,
lapw1_5.error,
lapw1_6.error,
lapw2.error,
lapw2_1.error,
lapw2_2.error,
lapw2_3.error
lapw2_4.error
lapw2_5.error
lapw2_6.error
lcore.error
mixer.error
sumpara.error
sxpec.error
dstart.error
irrep.error,
sumpara,
clmaddsub,
keep on generating. Same empty files were generated also for Hafnia
case. SCF, job optimize converges successfully (no error message in
case.dayfile) but empty error files keep on generating.
Please check if aliases, env variables, package libraries are
correctly linked.
thanks,
A. Kumar
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