[Wien] Large cell instgen_lapw : word too long

[Gavin Abo]

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@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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