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

2019-11-23 Thread Gavin Abo 
You may want to check that -p is available in the fsm program of the 
WIEN2k version that you are using, e.g.:


username@computername:~/wiendata/test$ cat $WIENROOT/WIEN2k_VERSION
WIEN2k_19.1 (Release 25/6/2019)
username@computername:~/wiendata/test$ 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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Re: [Wien] Is it possible to do parallel calculation with the FSM procedure ?

2019-11-23 Thread Laurence Marks 
Yes

On Sat, Nov 23, 2019 at 1:12 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
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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