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 ?
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
