OpenKMC4SW39000

OpenKMC is a high-performance parallel AKMC program developed based on Spparks.

This repository is a redesigned distribution of OpenKMC for the new generation of Sunway high-performance platform. OpenKMC is highly optimized for the SW39000 processor of the next-generation Sunway system, which can effectively utilize the heterogeneous many-core computing power and can obtain 37x acceleration.

Enviroment

This repository needs to be compiled and run on the new-generation Sunway high-performance platform. Please make sure the repository is installed in that environment.

Compiler

The compiler version, which ensure that OpenKMC can be compile successfully, is:

gcc version 7.1.0 20170502 (swgcc-1307)

Quick Start

cd src
make swg++
cd ../SW_test/01-18MPI
./sub.sh

The software runs in a similar way to Spparks, see the Spparks documentation for details.

After compiling in the src directory, you will get an openkmc_swg++ binary. Submit the job with the following command:

bsub -b -J job_name -o outfile -m 1 -q queue_name -n Number_of_MPI_processes -cgsp 64 -share_size 15000 -host_stack 256 -cross_size 32 -ldm_share_mode 4 -ldm_share_size 4 ../../src/openkmc_swg++ -in input

Users can set parameters on demand, such as job_name, outfile, queue_name, Number_of_MPI_processes and input. The other flags(include "-cgsp 64 -share_size 15000 -host_stack 256 -cross_size 32 -ldm_share_mode 4 -ldm_share_size 4") are not recommended to be modified because there is a high probability that the program will not run after modification.

This repository contains a \perf_log directory. It contains a number of performance test files. Each test folder contains:

1. input. The input file describes the system information that OpenKMC needs to calculate, and more information is available in the Spparks manual.
2. sub.sh. Job submission scripts for use on the next-generation Shineway high-performance platform.
3. output. The result of this test.

The \perf_log\SW_opt_test directory contains two tests. Each test contains two run logs output and output_SSL. These two logs are the results after and before the SW39000 adaptation optimization, respectively. From them, we can see that OpenKMC gets 37x acceleration from the many-core.