[ase-users] Using sockets to do NEB calculations

Ask Hjorth Larsen asklarsen at gmail.com
Sat Jun 20 03:30:03 CEST 2020


Dear Kush,

Am Fr., 19. Juni 2020 um 22:07 Uhr schrieb Kushagra Agrawal
<AgrawalK2 at cardiff.ac.uk>:
>
> Hi,
>
> Thank you for your email.
> Please find attached the script.

All connections use the same port.  They should each use a different one.

Be sure to use the label keyword so they run in different directories.
Otherwise they will overwrite each others' files.

Best regards
Ask

>
>
> Regards
> Kush


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