- Jul 11, 2017
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
PG-PuReMD: fix nvcc build issue where incorrect C++ compiler was utilized. Fix race condition with three body list computation. Remove debug code. Other misc. refactoring.
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- Jun 22, 2017
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Kurt A. O'Hearn authored
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- Jun 17, 2017
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Kurt A. O'Hearn authored
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- Jun 13, 2017
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Kurt A. O'Hearn authored
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- Jun 07, 2017
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Kurt A. O'Hearn authored
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- Jun 06, 2017
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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- May 26, 2017
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Kurt A. O'Hearn authored
PG-PuReMD: begin enhancements. Enable sim. step retries. Enable far neighbors list max per atom. Other general code clean-ups.
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- May 01, 2017
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Kurt A. O'Hearn authored
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- Apr 19, 2017
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Kurt A. O'Hearn authored
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- Apr 18, 2017
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Kurt A. O'Hearn authored
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- Mar 27, 2017
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Kurt A. O'Hearn authored
PG-PuReMD: fix build system linker argument ordering (LDFLAGS -> LDADD). Fix inline functions. Disable optimized CUDA code generation by default (added Makefile flags to enable along with preprocessor defs to enable relevant code paths).
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- Mar 22, 2017
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Kurt A. O'Hearn authored
PG-PuReMD: fix include guards, resolve implicit function declarations, fix inline issues with GCC v5 (C99 std). Other general code clean-up.
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- Mar 18, 2017
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Kurt A. O'Hearn authored
PG-PuReMD: fix issue with hydrogen bond cutoff with systems without hydrogen atoms. Remove debugging info for MPI-only version of PG-PuReMD.
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Kurt A. O'Hearn authored
PG-PuReMD: include forgotten headers for distribution. Fix CUDA installation check. Additional updates for build system.
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- Dec 08, 2016
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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- Dec 06, 2016
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
sPuReMD: enable debug builds. Fix compilation issues when optimizations disabled (-O0). Fix graph coloring data structure management.
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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- Dec 05, 2016
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
PuReMD-GPU: fix issues with C++ to C calling conventions. Remove function overloading for C compilation.
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- Dec 03, 2016
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KAO authored
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- Nov 25, 2016
- Nov 24, 2016
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KAO authored
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- Nov 22, 2016
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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- Nov 21, 2016
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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- Nov 16, 2016
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
sPuReMD: complete preconditioner application using level scheduling with permutations based on graph coloring.
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- Oct 13, 2016
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Kurt A. O'Hearn authored
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- Oct 11, 2016
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Kurt A. O'Hearn authored
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- Sep 09, 2016
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Kurt A. O'Hearn authored
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