- May 21, 2018
-
-
Kurt A. O'Hearn authored
PG-PuReMD: fix charge matrix allocation issue. Update CUDA code to reflect data structure changes. Begin removing global variables. Seperate struct declarations and definitions to avoid circular data dependencies when refactoring data structures. Small I/O updates.
-
- May 18, 2018
-
-
Kurt A. O'Hearn authored
-
- May 14, 2018
-
-
Kurt A. O'Hearn authored
PG-PuReMD: merge memory management and step retry logic from MPI+GPU code into MPI-only code. Fix and backport numerous bugs (void pointer arithmetic and dereferences, etc.). Update code to match new data structures. Begin merging changes from OpenMP code (sPuReMD) for preconditioning work.
-
- Aug 24, 2017
-
-
Kurt A. O'Hearn authored
PG-PuReMD: complete memory changes. Remove max register per CUDA function option in build. Other misc. changes.
-
- Jul 16, 2017
-
-
Kurt A. O'Hearn authored
-
- Jul 15, 2017
-
-
Kurt A. O'Hearn authored
-
- Jun 13, 2017
-
-
Kurt A. O'Hearn authored
-
- Jun 06, 2017
-
-
Kurt A. O'Hearn authored
-
- May 26, 2017
-
-
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.
-
- May 01, 2017
-
-
Kurt A. O'Hearn authored
-
- Apr 19, 2017
-
-
Kurt A. O'Hearn authored
-
- Jun 20, 2016
-
-
Kurt A. O'Hearn authored
-
- Jun 18, 2016
-
-
Kurt A. O'Hearn authored
-
- Apr 23, 2016
-
-
Kurt A. O'Hearn authored
-
- Jan 14, 2016
-
-
Kurt A. O'Hearn authored
-