ECP-copa CabanaMD issues

ECP-copa / CabanaMD

Molecular dynamics proxy application based on Cabana

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issues

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[updated] Incorporate Cajita / Cabana::Grid load balancer

#113 cz4rs opened 2 weeks ago
2
[duplicate] Incorporate Cajita load balancer

#112 cz4rs closed 3 weeks ago
1
fixup: unused return in fread

#111 streeve closed 4 months ago
0
Fixup: CI

#110 streeve closed 5 months ago
0
Replace Cajita->Grid

#109 streeve closed 5 months ago
2
Update CI

#108 streeve closed 6 months ago
0
Convert from Cajita to Cabana::Grid

#107 streeve opened 9 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 2 years ago
2
Incorporate liball load balancing library

#103 aetx closed 6 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 3 years ago
1
Fix Cuda unit tests

#79 streeve closed 3 years ago
1
Enable user preallocation for Verlet neighbor lists

#78 streeve closed 3 years ago
0
Unable to run NNP example

#77 singraber closed 3 years ago
9
Avoid using member variables in kernels

#76 masterleinad closed 3 years ago
1
Add default Kokkos backend

#75 streeve closed 3 years ago
0
Convert LJ parameter arrays to Views

#74 streeve closed 3 years ago
2
Default to Kokkos parallel backend

#73 streeve closed 3 years ago
1
Add ArborX neighbor lists with 2D layout

#72 streeve closed 3 years ago
0
Add missing and reorder includes

#71 streeve closed 3 years ago
0
Do not explicitly link against dl and hwloc

#70 dalg24 closed 3 years ago
0
Fix typo "CabanaMD_ENABLE_ARBORX => Cabana_ENABLE_ARBORX"

#69 dalg24 closed 3 years ago
1
Fix dependency variables

#68 streeve closed 3 years ago
1
Update ArborX dependency

#67 streeve closed 3 years ago
3
CMake 3.11+ required for build?

#66 singraber closed 3 years ago
3
Update minimum CMake version for FetchContent

#65 masterleinad closed 3 years ago
2
Add neighbor list unit test

#64 streeve closed 3 years ago
0