On 10/09/2013 06:03 PM, Gavin Abo wrote:
I think the "/" in front of "/CoFeMnSn.vectordn" suggests that SCRATCH
might have been set to the root directory were user permission problems
can occur instead of the current directory "./"
[http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-May/017013.html].
IIRC, that happens when SCRATCH is empty (or unset).
If you want to “not use SCRATCH”, it is necessary to ‘set SCRATCH=.’.
On 10/9/2013 8:56 AM, Vivek Jain wrote:
Dear all,
I am running wien2k version on Ubuntu 12.04 system.
i am Calculating SCF for CoFeMnSn heusler alloys using PBE-GGA
96 approximation, Rmt*Kmax = 7.0
after 3 cycle completely successful run then following error occurs in
dnlapw1.error file
Error in LAPW1
'INILPW' - can't open unit: 10
'INILPW' - filename: /CoFeMnSn.vectordn
'INILPW' - status: unknown form: unformatted
'LAPW1' - INILPW aborted unsuccessfully.
This type (*.vectordn) of file present in folder but i am not able to
open *.vectordn. this error also occur when we copy the struct file in
other session and different folder and SCF calculation run. sometimes
SCF successfully run and when we do Volume optimization then same
problem occurs.
--
Vivek Kumar Jain
Department of Physics
MohanLal Sukhadia University,
Udaipur
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