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Rafael Ravedutti fd108d97d8 Fix problem when atoms_per_unit_cell is less or equal than 4 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-04-22 00:07:42 +02:00
asm Add comments for second kernel variant on Intel AOS assembly 2021-04-16 16:31:27 +02:00
src Fix problem when atoms_per_unit_cell is less or equal than 4 2021-04-22 00:07:42 +02:00
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include_CLANG.mk Streamline build system 2021-03-24 08:43:44 +01:00
include_GCC.mk Restructure timing and instrumentation. Add performance metric. 2021-04-15 14:55:02 +02:00
include_ICC.mk Restructure timing and instrumentation. Add performance metric. 2021-04-15 14:55:02 +02:00
LICENSE Switch License to LGPL3 2020-08-19 10:47:40 +02:00
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README.md Streamline build system 2021-03-24 08:43:44 +01:00

README.md

MD-Bench

A simple, sequential C implementation of the Mantevo miniMD benchmark in less than 1000 LOC.

Build

  1. Open config.mk and edit the TAG value according to the tool chain used. Currently supported is GCC, CLANG (LLVM), and ICC (Intel).
  2. Change DATA_LAYOUT and DATA_TYPE if desired in config.mk.
  3. Open and adapt the compiler flags in <include_<TOOLCHAIN>.mk, e.g. in include_ICC.mk for the Intel tool chain.
  4. Build the binary calling make.

You can clean intermediate build results with make clean, and all build results with make distclean. You have to call make clean before make if you changed the build settings.

Configuration

Currently all settings apart from the options described below are hard-coded in main.c.

Run the benchmark

Without any options 200 steps with system size 32x32x32 is used.

The default can be changed using the following options:

-n / --nsteps <int>:  set number of timesteps for simulation
-nx/-ny/-nz <int>:    set linear dimension of systembox in x/y/z direction