[Wien] Terminal closes automatically and the job terminates.
fabien.tran at vasp.at
fabien.tran at vasp.at
Wed Sep 13 20:19:21 CEST 2023
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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> --
> -----------------------------------------------------------------------
> Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-158801165300
> Email: peter.blaha at tuwien.ac.at
> WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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