[DFTB-Plus-User] DFTB+ 21.2 + nodes

[toufik esssakhri]

Dear all,

I am using DFTB+ 21.2 for my calculations. However, I notice that for more nodes more running time, which is somehow "strange" for me; ie
 1 node     4mn 34sec
 3 nodes   5mn 16sec
 6 nodes  12mn 15sec
10 nodes 29mn 26sec
12 nodes 36mn 44sec
Compilation with MPI=1  https://dftbplus-recipes.readthedocs.io/en/latest/parallel/compiling.html

I know it is maybe more related to the architecture of our supercomputing system but I didn't notice such behavior for other DFT codes I am using.

Best regards,
Toufik
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220105/e3ae413f/attachment-0001.htm>