Skip to content

Commit

Permalink
Rename to miniBUDE and add preferred citation
Browse files Browse the repository at this point in the history
  • Loading branch information
andreipoe committed Apr 22, 2021
1 parent c2de94e commit 99362eb
Show file tree
Hide file tree
Showing 10 changed files with 26 additions and 20 deletions.
10 changes: 8 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE Benchmark
# miniBUDE

This repository contains implementation of the core computation of the Bristol University Docking Engine (BUDE) in different HPC programming models.
This mini-app is an implementation of the core computation of the Bristol University Docking Engine (BUDE) in different HPC programming models.
The benchmark is a virtual screening run of the NDM-1 protein and runs the energy evaluation for a single generation of poses repeatedly, for a configurable number of iterations.
Increasing the iteration count has similar performance effects to docking multiple ligands back-to-back in a production BUDE docking run.

Expand Down Expand Up @@ -43,3 +43,9 @@ Two input decks are included in this repository:
They are located in the [`data`](data/) directory, and `bm1` is run by default.
All implementations accept a `--deck` parameter to specify an input deck directory.
See [`makedeck`](makedeck/) for how to generate additional input decks.

## Citing

Please cite miniBUDE using the following reference:

> Andrei Poenaru, Wei-Chen Lin and Simon McIntosh-Smith. ‘A Performance Analysis of Modern Parallel Programming Models Using a Compute-Bound Application’. In: 36th International Conference, ISC High Performance 2021. Frankfurt, Germany, 2021. In press.
4 changes: 2 additions & 2 deletions cuda/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE CUDA
# miniBUDE CUDA

This is a GPU implementation of BUDE using CUDA.
This is a GPU implementation of miniBUDE using CUDA.

## Building

Expand Down
2 changes: 1 addition & 1 deletion data/README.md
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
# BUDE Benchmark Data
# miniBUDE Benchmark Data

This directory contains input data and reference output.
Each sub-directory is a self-contained test case.
Expand Down
4 changes: 2 additions & 2 deletions kokkos/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE Kokkos
# miniBUDE Kokkos

This is an implementation of BUDE using Kokkos.
This is an implementation of miniBUDE using Kokkos.

## Building

Expand Down
6 changes: 3 additions & 3 deletions makedeck/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE makedeck
# miniBUDE makedeck

This program generates input decks for the BUDE benchmark from a set of mol2 and bhff files.
This program generates input decks for miniBUDE from a set of mol2 and bhff files.

## Building

Expand Down Expand Up @@ -55,7 +55,7 @@ params.txt # contains original program arguments used to generate this deck
ref_energies.out # contains reference energies used for verification
```

The input deck directory can then be specified in all BUDE implementations:
The input deck directory can then be specified in all miniBUDE implementations:

./bude --deck output

Expand Down
4 changes: 2 additions & 2 deletions openacc/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE OpenACC
# miniBUDE OpenACC

This is a GPU implementation of BUDE using OpenACC.
This is a GPU implementation of miniBUDE using OpenACC.

## Building

Expand Down
4 changes: 2 additions & 2 deletions opencl/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE OpenCL
# miniBUDE OpenCL

This is a GPU implementation of BUDE using OpenCL.
This is a GPU implementation of miniBUDE using OpenCL.

## Building

Expand Down
4 changes: 2 additions & 2 deletions openmp-target/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE OpenMP Target
# miniBUDE OpenMP Target

This is a GPU implementation of BUDE using OpenMP target.
This is a GPU implementation of miniBUDE using OpenMP target.

## Building

Expand Down
4 changes: 2 additions & 2 deletions openmp/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE OpenMP
# miniBUDE OpenMP

This is a CPU implementation of BUDE using OpenMP 3.
This is a CPU implementation of miniBUDE using OpenMP 3.

## Building

Expand Down
4 changes: 2 additions & 2 deletions sycl/README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# BUDE SYCL
# miniBUDE SYCL

This is a CPU implementation of BUDE using SYCL.
This is a CPU implementation of miniBUDE using SYCL.

## Building

Expand Down

0 comments on commit 99362eb

Please sign in to comment.