[DFTB-Plus-User] MPI Version crashes
fuxiaoxiaophysics at 163.com
Wed Dec 11 09:20:08 CET 2013
Congratulations that you have installed the dftbp-MPI successfully. Now, I'm
calculating a system of more than 3000 atoms. It runs slowly on a single
CPU. So, I'm trying to install the MPI version on my cluster. However, I
found it is very sensitive to the supporting software version, and the dftb+
website doesn't supply detailed information about its compilation. The task
is somewhat urgent. Do you have any notes about its installation? Would you
like to share some experiences with me? I'll be extremely thankful if you
can do me a favor.
I'm looking forward to your good news. Thank you very much.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the DFTB-Plus-User