[Wien] Large cell instgen_lapw : word too long

[Chouaib AHMANI FERDI]

Mr Gavin Abo,

Unfortunately, I do not have access to supercomputer nor to a cluster. I
will have to stick with my PC for a while. I thought that MPI was for
running jobs on multiple (actual) machines, but since I can run lapw1 in
multiple cores in my Single PC (edit .machine file), I guess I already have
MPI installed.

Faithfully

On Fri, Nov 3, 2017 at 12:31 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Yes, you can run mpi on your single PC.  If I remember correctly, lapw1
> (and maybe also lapw2) is usually slower than lapw0 , so you will want to
> run them in parallel.
>
> However, several PC on a GB-network might run calculations faster than
> your single PC as was mentioned before [ https://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/msg09334.html ].
>
> If you can find a company, university, or research center to collaborate
> with that has an Infiniband based cluster, that should be even better.
>
> On 11/3/2017 5:04 AM, Chouaib AHMANI FERDI wrote:
>
> Thank you for your reply.
>
> I tried the conversions between struct and cif files, but the structures
> remains the same. 336 atomes!
>
> I don't have MPI installed because I never had to use it, will it allow
> for example to run lapw0 on multiple cores in my single PC ?
>
>
>
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>


-- 
AHMANI FERDI Chouaïb
"Laboratoire Matériaux Nanomatériaux Nanomagnétisme
  et Enseignement des Sciences"
Ecole Normale Supérieure
Université Mohammed V, Rabat.
Tel : +212 6 94 59 57 60
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