[Pw_forum] 2Gb file limit in PWSCF

[Francesco Antoniella]

Il lun, 2004-01-19 alle 19:36, Konstantin Kudin ha scritto:
>  Hello,
> 
>  I tried to run a job on a 32-bit Linux, and once the
> *.wfc file became larger than 2Gb, the job crashed due
> to the file size restrictions. Not good :-)
> 
>  How doable would it be to have each k point written
> out in a seperate *.wfc file? The parallel code does
> exactly that when it splits things across nodes, so
> possibly most things are in place.
I think that you can foul the system by using anyway mpi on a single
processor.
If you have a "standard" red hat distro with LAM-MPI installed
you can lamboot the mpi daemon with a lamnodes like this
me.localhost
me.localhost
me.localhost
me.localhost

so the LAM daemon will start 4 processes on the same node, but beware
the memory: if you want to scale the files you must use -pools so you
will multiplicate the raw memory occupation.
Best Whishes 
Francesco
P.S.:Wath are you doing with this huge wfc file? A thousand k points on
a supercell??

>  
>  Kostya
> 
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