[Wien] budget CPU and Linux system for precompiled binaries

[Mathew Peet]

Dear Lukasz,

There is some advice here, and usually details in the resources for the 
workshops.

http://www.wien2k.at/reg_user/benchmark/

2019 Workshop slides has following advice.

"WIEN2k runs on any Linux platform from PCs, Macs,
workstations, clusters to supercomputers
  Intel I7 4-,6- or 8-core processors with fast memory bus
(2-4 Gb/core, Gbit-network, SATA disks). 1000-1500€ /PC,

with a few such PCs you have a quite powerful cluster (k-parallel)

60 - 100 atom / cell, requires 2-4 Gb RAM/core
  Cluster of Intel Xeon based nodes with infiniband (probably
2x16 cores per node best because of memory access)

mpi, Scalapack, ELPA, FFTW

up to 1000 atom s/ cell
  Fortran90 (dynamical allocation, modules)

real/complex version (inversion)

many individual modules, linked together with C-shell or perl-scripts"

Best wishes,

Mathew




On 16/12/2022 08:03, pluto via Wien wrote:
> Dear All,
>
> I am considering to build a simple Linux PC for WIEN2k, price range 
> between ca. 500-2000 EUR. It would be used to run band-structure 
> calculations.
>
> I will run precompiled WIEN2k executables on this. Is there a 
> preferred CPU and Linux system that would ensure good compatibility?
>
> I suppose this question is asked quite a lot, but hardware changes 
> quickly. Any comments on a particular CPU/mainboard configuration, RAM 
> amount, type of SSD etc. would be appreciated.
>
> Best,
> Lukasz
>
>