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SParTA
PuReMD
Commits
ff515465
Commit
ff515465
authored
7 years ago
by
Kurt A. O'Hearn
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Update user manual.
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*.log
*.toc
*.pdf
_minted-*
# ViM, emacs, nano, leafpad
*.swp
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-------------------------------------------------------------------------
-------------------------------------------------------------------------
------------- Instructions to get started with the codebase ---------
-------------
PuReMD Package Release 1.0.0.0
---------
-------------
PuReMD Package Release 1.0.0.0
---------
-------------------------------------------------------------------------
-------------------------------------------------------------------------
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@@ -29,10 +29,10 @@ VERSION - 1003
1. Following package for Purdue Reactive Molecular Dynamics (PuReMD)
consists of the following implementations:
a) serial (single cpu) implementation
- sPuReMD
b) GPU (single GPU) implementation
-
PuReMD-GPU
c) Parallel CPU (cluster of CPUs) implementation
- PuReMD
d) Parallel GPU (cluster of GPUs) implementation
- PG-PuReMD
a) serial (single cpu) implementation - sPuReMD
b) GPU (single GPU) implementation -
PuReMD-GPU
c) Parallel CPU (cluster of CPUs) implementation
- PuReMD
d) Parallel GPU (cluster of GPUs) implementation
- PG-PuReMD
2. In the current implemtations only limited ensembles are supported
in the GPU implementations (CPU implementations supports a wide array of
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