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ECP-copa
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CabanaMD
Molecular dynamics proxy application based on Cabana
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[updated] Incorporate Cajita / Cabana::Grid load balancer
#113
cz4rs
opened
2 months ago
4
[duplicate] Incorporate Cajita load balancer
#112
cz4rs
closed
2 months ago
1
fixup: unused return in fread
#111
streeve
closed
6 months ago
0
Fixup: CI
#110
streeve
closed
7 months ago
0
Replace Cajita->Grid
#109
streeve
closed
7 months ago
2
Update CI
#108
streeve
closed
8 months ago
0
Convert from Cajita to Cabana::Grid
#107
streeve
opened
11 months ago
0
Intranode GPU communication crashes in MPI called from Cabana::Gather::apply()
#106
patrickb314
opened
1 year ago
2
Illegal instruction error
#105
jimmylegendary
opened
2 years ago
1
Incorporate Cajita load balancer
#104
aetx
opened
3 years ago
2
Incorporate liball load balancing library
#103
aetx
closed
8 months ago
1
Problems with CUDA device
#102
XzzX
opened
3 years ago
3
Travis -> GitHub Actions
#101
streeve
closed
3 years ago
2
Fixup make sure Kokkos::finalize gets called before MPI_Finalize
#100
dalg24
closed
3 years ago
0
Enable execution on Kokkos::Threads
#99
dalg24
closed
3 years ago
0
Update clang format
#98
streeve
closed
3 years ago
1
CabanaMD/N2P2 feature limitations
#97
moabe84
opened
3 years ago
2
Update license for 2021
#96
streeve
closed
3 years ago
0
Variable vector length per atom property
#95
streeve
closed
3 years ago
0
Add write_data
#94
streeve
closed
3 years ago
0
NNP get mean energy
#93
streeve
closed
3 years ago
0
Fix read_data on the device
#92
streeve
closed
3 years ago
0
Remove HIP workarounds
#91
streeve
closed
3 years ago
0
Fix command line NNP layout options
#90
streeve
closed
3 years ago
0
fixup: avoid member variable capture
#89
streeve
closed
3 years ago
0
Simplify mdfactory
#88
aprokop
closed
3 years ago
1
Test with 2.0.1 release of n2p2
#87
streeve
closed
3 years ago
1
Add HIP and pthread unit test backends
#86
streeve
closed
3 years ago
0
Pass max neighbor guess to ArborX
#85
aprokop
closed
3 years ago
2
Fix help line for neigh type
#84
aprokop
closed
3 years ago
0
Replace n2p2 master with tagged release
#83
streeve
closed
3 years ago
2
Use Cajita mesh for MPI decomposition
#82
streeve
closed
3 years ago
1
Fix neighbor allocation guess
#81
streeve
closed
3 years ago
1
Fix NNP errors with Cuda
#80
streeve
closed
4 years ago
1
Fix Cuda unit tests
#79
streeve
closed
4 years ago
1
Enable user preallocation for Verlet neighbor lists
#78
streeve
closed
4 years ago
0
Unable to run NNP example
#77
singraber
closed
4 years ago
9
Avoid using member variables in kernels
#76
masterleinad
closed
4 years ago
1
Add default Kokkos backend
#75
streeve
closed
4 years ago
0
Convert LJ parameter arrays to Views
#74
streeve
closed
4 years ago
2
Default to Kokkos parallel backend
#73
streeve
closed
4 years ago
1
Add ArborX neighbor lists with 2D layout
#72
streeve
closed
4 years ago
0
Add missing and reorder includes
#71
streeve
closed
4 years ago
0
Do not explicitly link against dl and hwloc
#70
dalg24
closed
4 years ago
0
Fix typo "CabanaMD_ENABLE_ARBORX => Cabana_ENABLE_ARBORX"
#69
dalg24
closed
4 years ago
1
Fix dependency variables
#68
streeve
closed
4 years ago
1
Update ArborX dependency
#67
streeve
closed
4 years ago
3
CMake 3.11+ required for build?
#66
singraber
closed
4 years ago
3
Update minimum CMake version for FetchContent
#65
masterleinad
closed
4 years ago
2
Add neighbor list unit test
#64
streeve
closed
4 years ago
0
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