[Pw_forum] NEB error
Layla Martin-Samos
lmartinsamos at gmail.com
Wed Jun 15 14:38:57 CEST 2011
Dear Jin, re-examining neb.f90 I found that a mp_bcast was missing. Can you
please, try the attached neb.f90, and tell me if it is working now?
thank you for helping us in improving the portability
Layla
2011/6/14 Jin Qu <qujin1797 at gmail.com>
> Dear Layla, it is correct that I run the calculation as "neb.x -inp input >
> out" as you mentioned.
>
> Many thanks
>
>
>
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