[CP2K-user] [CP2K:17099] parallelisation in CP2K modules

Margherita maggie.burraschi at gmail.com
Wed Jun 8 10:49:09 UTC 2022


Dear all,
I am writing a module for CP2K but I am very much struggling to get the 
parallel executable (cp2k.psmp) to work (the serial one, cp2k.ssmp, works 
correctly and as expected). I believe I need to use routines such as 
MPI_WAIT or MPI_WAITALL to deal with this issue but I don't know exactly 
how these are included in CP2K. Can anyone point me in the direction of the 
modules/subroutines which are used to handle communication between MPI 
processes in CP2K? Any additional information on how they (the main ones) 
work would also be greatly appreciated!

Thank you in advance!
Margherita 

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/8381c2cb-6f76-4ad4-8cd2-e8ec548ec2c2n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220608/3df13792/attachment-0001.htm>


More information about the CP2K-user mailing list