Hi,
WIEN2k has a usersguide, where the different parallelization modes are
extensively described.
On a cluster with a queuing system (like SLURM) it should not even be
possible to access nodes (except the frontend) via ssh without using
SLURM (on our SLURM machine ssh is possible only to nod
Dear All,
As I am currently trying to get Wien2k running on Stampede (also SLURM),
let me add a little clarification without disagreeing with anything Peter
said.
A typical workflow in Wien2k is (very simplified) an iterative loop
controlled by csh scripts:
1) A single serial multithreaded or mp
I just ran some tests on a system using the mpi benchmark with up to 512
cores and also increased RKMAX from 6.0 to 9.0. Except for 512 cores (which
is slower for reasons I don't understand) everything scaled roughly as
Time = Constant*(Matrix Size)**2/sqrt(Number of Cores)
We seem to have no upd
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