Re: [Wien] SLURM support "no ssh" for WIEN2k?

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

Re: [Wien] SLURM support "no ssh" for WIEN2k?

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

[Wien] mpi size/cores timing

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