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Updated
Target version
2491
GROMACS
Feature
New
Normal
Allow constant bias AWH simulations
Viveca Lindahl
04/25/2018 04:04 PM
GROMACS - 2018.2
2490
GROMACS
Task
New
Normal
evaluate two-step communicators
Szilárd Páll
04/25/2018 02:52 PM
GROMACS - 2019
2489
GROMACS
Bug
New
Low
Handle mdp-option case "awh-nsamples-update = 0"
Viveca Lindahl
04/25/2018 04:04 PM
GROMACS - 2018.2
2488
GROMACS
Task
New
Normal
use MPI non-blocking collectives to overlap pull comm
04/25/2018 04:19 PM
2487
GROMACS
Bug
New
Normal
AWH covering detection delayed in certain cases
Viveca Lindahl
04/25/2018 11:56 AM
GROMACS - 2018.2
2483
GROMACS
Bug
New
Low
gmx dump writes mdp files that can not be parsed by grompp
Paul Bauer
04/19/2018 03:10 PM
2481
GROMACS
Task
New
Low
gmx check -m writes latex methods section, but has not been kept up to date
04/17/2018 04:52 PM
GROMACS - 2019
2480
GROMACS
Bug
New
Normal
pdb2gmx does not protonate correctly for united-atom Gromos
04/16/2018 06:19 PM
2478
GROMACS
Task
New
Low
avoid use of getenv in static initialization
04/13/2018 11:57 AM
2475
GROMACS
Task
New
Normal
make OpenCL 1st class-citizen in the build system
04/10/2018 04:03 PM
GROMACS - 2019
2474
GROMACS
Bug
New
Normal
Double free/corruption for gmx solvate when topol.tpr explicitly listed as input argument and gmx built with mpi
04/17/2018 05:34 PM
GROMACS - 2018.2
2473
GROMACS
Bug
New
Normal
mdrun sometimes stalls due to large coordinates with no constraints
04/04/2018 10:15 PM
2469
GROMACS
Task
New
Normal
implement GPU timer reduction for reporting
03/27/2018 05:08 PM
2468
GROMACS
Bug
New
Low
incorrect GPU timing reported with OpenCL and domain decomposition
03/28/2018 05:17 PM
GROMACS - 2018.2
2466
GROMACS
Bug
New
Normal
Compile error on Mac with CUDA support
04/11/2018 09:57 AM
2464
GROMACS
Task
New
Normal
GPU performance goals overview
03/26/2018 10:42 AM
2463
GROMACS
Task
New
Low
PME GPU decomposition
03/26/2018 10:42 AM
2462
GROMACS
Task
New
Normal
consider adding STL misuse tests
03/23/2018 01:23 AM
2461
GROMACS
Task
New
Normal
Expose more info from t_atom to trajectory analysis framework
Joe Jordan
03/22/2018 03:07 PM
GROMACS - future
2460
GROMACS
Bug
New
Normal
Allow inclusion of user libraries through CMake cache variables
03/28/2018 08:47 PM
2456
GROMACS
Task
New
Normal
Add a pull module external potential tests
03/15/2018 03:02 PM
2454
GROMACS
Task
New
Normal
OpenCL infrastructure improvements
03/14/2018 08:51 PM
GROMACS - 2019
2453
GROMACS
Task
New
Normal
PME OpenCL porting effort
Aleksei Iupinov
03/27/2018 01:56 PM
GROMACS - 2019
2451
GROMACS
Feature
New
Normal
Linear virtual sites with fixed distance
David van der Spoel
03/19/2018 09:16 AM
GROMACS - 2019
2450
GROMACS
Bug
New
Normal
OpenCL runtime version check missing
Szilárd Páll
03/14/2018 08:52 PM
GROMACS - 2019
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