[DFTB-Plus-User] 1.3.1 dftb+ parallelization

neoblako neoblako at fbb.msu.ru
Wed May 3 22:19:58 CEST 2017

Hello everybody,

Could you tell me more details about the parallelization of the current 
version? I know, there is a special MPI version, but the "OpenMP 
parallelization" is a feature of 1.3.1
Is it enough to compile it in some custom way (I mean, compilers opts 
like -qopenmp), or how can I use it? Thank you

Best regards,
Maxim Malkov

More information about the DFTB-Plus-User mailing list