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Updated
Target version
3317
GROMACS
Task
Resolved
Normal
Improve testing of the GPU code
Artem Zhmurov
10/06/2020 12:15 PM
GROMACS - 2021-refactoring
3314
GROMACS
Task
Resolved
Normal
Platform agnostic DeviceStream
Artem Zhmurov
03/20/2020 09:55 AM
GROMACS - 2021-refactoring
3311
GROMACS
Feature
In Progress
Normal
GPU infrastructure development
03/20/2020 09:54 AM
GROMACS - 2021-refactoring
3372
GROMACS
Bug
Closed
Normal
Re-enable RVec and float3 compatibility tests
Artem Zhmurov
03/20/2020 09:54 AM
GROMACS - 2021-refactoring
3312
GROMACS
Task
In Progress
Normal
Data type for coordinates, xyzq data, LJ parameters data to use for GPU buffers
Artem Zhmurov
03/20/2020 09:54 AM
GROMACS - 2021-refactoring
3315
GROMACS
Task
Resolved
Normal
Platform agnostic DeviceContext
Artem Zhmurov
03/11/2020 04:15 PM
GROMACS - 2021-refactoring
3180
GROMACS
Task
New
Normal
Remove extra D2H and H2D copies of coordinates when the COM motion is compensated.
Artem Zhmurov
02/14/2020 12:45 PM
GROMACS - 2021-infrastructure-stable
3114
GROMACS
Feature
New
Normal
Improve GPU update-constraints module
Artem Zhmurov
02/10/2020 04:30 PM
GROMACS - 2021
3318
GROMACS
Feature
In Progress
Normal
Use wrappers for the GPU buffer copy/allocations
Artem Zhmurov
01/23/2020 12:01 PM
GROMACS - 2021-refactoring
3313
GROMACS
Feature
Accepted
Normal
Introduce and use opaque types for the DeviceStream and DeviceContext
Artem Zhmurov
01/23/2020 12:00 PM
GROMACS - 2021-refactoring
3352
GROMACS
Feature
New
Normal
GPU update-constraints feature support
Artem Zhmurov
01/23/2020 11:59 AM
GROMACS - 2021
3351
GROMACS
Feature
New
Normal
GPU update-constraints code organization and integration
Artem Zhmurov
01/23/2020 11:59 AM
GROMACS - 2021
3350
GROMACS
Feature
New
Normal
GPU update-constraints performance
Artem Zhmurov
01/23/2020 11:59 AM
GROMACS - 2021
3349
GROMACS
Task
Closed
Normal
GPU update-constraints: Unify the PBC management.
Artem Zhmurov
01/23/2020 11:59 AM
GROMACS - 2021-infrastructure-stable
3348
GROMACS
Task
New
Normal
GPU LINCS and SETTLE: unify virial reduction
Artem Zhmurov
01/23/2020 11:58 AM
GROMACS - 2021-infrastructure-stable
3347
GROMACS
Task
Closed
Normal
GPU update-constraints: Reconsider naming
Artem Zhmurov
01/23/2020 11:58 AM
GROMACS - 2021-refactoring
3346
GROMACS
Task
New
Normal
GPU SETTLE: Use the same parameters and parameters initialization in GPU and CPU versions of SETTLE.
Artem Zhmurov
01/23/2020 11:58 AM
GROMACS - 2021-infrastructure-stable
3345
GROMACS
Task
New
Normal
GPU update-constraints: Reconsider the naming of coordinates buffer in constraints.
Artem Zhmurov
01/23/2020 11:57 AM
GROMACS - 2021-infrastructure-stable
3344
GROMACS
Task
New
Normal
GPU update-constraints: Better virial reduction.
Artem Zhmurov
01/23/2020 11:57 AM
GROMACS - 2021-infrastructure-stable
3343
GROMACS
Task
New
Normal
GPU SETTLE: Use different ordering for matrices.
Artem Zhmurov
01/23/2020 11:57 AM
GROMACS - 2021-infrastructure-stable
3342
GROMACS
Task
New
Normal
GPU SETTLE: Read only one index per water molecule.
Artem Zhmurov
01/23/2020 11:56 AM
GROMACS - 2021-infrastructure-stable
3341
GROMACS
Task
New
Normal
GPU LINCS: Use analytical solution for the matrix A inversion.
Artem Zhmurov
01/23/2020 11:56 AM
GROMACS - 2021-infrastructure-stable
3340
GROMACS
Task
New
Normal
GPU LINCS: Move more data to local/shared memory
Artem Zhmurov
01/23/2020 11:56 AM
GROMACS - 2021-infrastructure-stable
3339
GROMACS
Task
New
Normal
GPU LINCS: Warp-level synchronization for coupled constraints
Artem Zhmurov
01/23/2020 11:55 AM
GROMACS - 2021-infrastructure-stable
3338
GROMACS
Task
New
Normal
GPU update-constraints: Do not save intermediate coordinates if there is no constraints
Artem Zhmurov
01/23/2020 11:55 AM
GROMACS - 2021-infrastructure-stable
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