With bash this should be
run_lapw ... >STDOUT 2>&1 &
On 13.09.2023 19:47, Peter Blaha wrote:
I'm using a tcsh. There you would detach a job from the terminal
using:
run_lapw ... >& STDOUT &
The job will continue, even if the terminal closes. All output and
errors are directed into a file called STDOUT, which you can view
whenever you want.
There must be something similar for the bash shell.
PS: As was mentioned before: Why are you using 500 k-points for a cell
with 300 atoms ??
There is a good reason to upgrade to wien2k_23.2. The new init_lapw
would automatically choose a reasonable number of k-points. Depending
on the selected precision (-prec 0-3(n)) eventually ONE k-point is
enough for the scf cycle.
Also the RKMAX would be set properly, you probably run with a much too
large value.
Am 13.09.2023 um 18:58 schrieb Pranjal Nandi:
Dear Member,
Hello.
My WIEN2k version is 21.1
I am running a simulation on a supercell containing about 300 atoms
which I expect to run for days (2 days maybe). Using 500 K points.
However, even if I use the nohup command, the terminal automatically
closes after an hour or so and the job also terminates abruptly.
May I please know what could be the possible reasons behind it? In
case additional information is needed, please let me know.
Thank you.
With warm regards,
Pranjal
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