Commit 04a109f2 authored by Kurt Lust's avatar Kurt Lust
Browse files

Minor restructuring of the benchmark subdirectory and corresponding update of the README.md file

parent 9cbd4054
......@@ -55,7 +55,7 @@ option to use ScaLAPACK. Expected to scale up to 10 nodes and/or 100 MPI
tasks. This benchmark runs fast. Expect execution times around 1 minutes
on 100 cores of a modern x86 cluster.
Input file: [benchmark/carbon-nanotube/input.py](benchmark/carbon-nanotube/input.py)
Input file: [benchmark/1_S_carbon-nanotube/input.py](benchmark/1_S_carbon-nanotube/input.py)
### Case M: Copper filament
......@@ -63,7 +63,7 @@ A ground state calculation for a copper filament in vacuum. By default uses a
2x2x3 FCC lattice with 71 atoms (freely adjustable) and ScaLAPACK for
parallelisation. Expected to scale up to 100 nodes and/or 1000 MPI tasks.
Input file: [benchmark/carbon-nanotube/input.py](benchmark/copper-filament/input.py)
Input file: [benchmark/2_M_carbon-nanotube/input.py](benchmark/2_M_copper-filament/input.py)
### Case L: Silicon cluster
......@@ -72,7 +72,7 @@ cluster has a radius of 15Å (freely adjustable) and consists of 702 atoms,
and ScaLAPACK is used for parallelisation. Expected to scale up to 1000 nodes
and/or 10000 MPI tasks.
Input file: [benchmark/carbon-nanotube/input.py](benchmark/silicon-cluster/input.py)
Input file: [benchmark/3_L_carbon-nanotube/input.py](benchmark/3_L_silicon-cluster/input.py)
## Mechanics of building the benchmark
......@@ -187,7 +187,7 @@ right from this repository.
### Running the benchmarks
#### Versions up to an including 19.8.1 of GPAW
#### Versions up to and including 19.8.1 of GPAW
These versions of GPAW come with their own wrapper executable, `gpaw-python`,
to start a MPI-based GPAW run.
......
###
### GPAW benchmark: Carbon Nanotube
### GPAW benchmark case S: Carbon Nanotube
###
from __future__ import print_function
......
###
### GPAW benchmark: Copper Filament
### GPAW benchmark case M: Copper Filament
###
from __future__ import print_function
......
###
### GPAW benchmark: Silicon Cluster
### GPAW benchmark case L: Silicon Cluster
###
from __future__ import print_function
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment