[Wien] Is it possible to do parallel calculation with the FSM procedure ?

Gavin Abo gsabo at crimson.ua.edu
Sun Nov 24 01:45:46 CET 2019


You may want to check that -p is available in the fsm program of the 
WIEN2k version that you are using, e.g.:

username at computername:~/wiendata/test$ cat $WIENROOT/WIEN2k_VERSION
WIEN2k_19.1 (Release 25/6/2019)
username at computername:~/wiendata/test$ runfsm_lapw -h
hup: Command not found.

PROGRAM:    /home/username/WIEN2k/runfsm_lapw

PURPOSE:    running the spinpolarized scf-cycle in WIEN with a
         fixed spin moment to be called within the case-directory
         has to be located in '/home/username/WIEN2k' directory

USAGE:        runfsm_lapw [OPTIONS] [FLAGS]

OPTIONS:
...

FLAGS:
-h/-H ->    help
...
-p    ->        run k-points in parallel (needs .machine file [speed:name])
...

On 11/23/2019 12:12 PM, Abderrahmane Reggad wrote:
> Hello wien2k users
>
> Is it possible to do parallel calculation with the FSM procedure ?
>
> Best regards
>
> -- 
> Dr. Abderrahmane Reggad
> Engineering Physics Laboratory
> Faculty of Material Sciences, Ibn Khaldoun University, Tiaret, 14000, 
> Algeria
> Tel: +213(0)561861963 - Algeria
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