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2018.1
First patch release of 2018
100%
33 issues
(
33 closed
— 0 open)
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Bug
32/32
Feature
1/1
Related issues
Bug #2377
: Useless spam of "No option -multi"
Bug #2378
: GPU profiler state not reset on PME ranks
Bug #2381
: COMM removal requested for part of the system works on the whole system
Bug #2385
: PME mixed mode produces incorrect results with box scaling
Bug #2386
: assertion failure in grompp
Bug #2388
: inconsistent pinning behavior due to missing SMT info on AMD Zen
Bug #2392
: mdp field 'define' does not correctly handle inputs that used to work
Bug #2394
: energy average printing segfaults when no data sets are recorded
Bug #2398
: Assertion failure with test particle insertion
Bug #2399
: group scheme always uses generic non-bonded kernel
Bug #2400
: Namespace for isfinite in src/external/lmfit/lmmin.cpp is not specified
Bug #2401
: Python scripts use hardcoded #!/usr/bin/python instead of #!/usr/bin/env python
Bug #2403
: Multidir sim with #mpiranks = 2*#sim fails
Bug #2405
: improve gpu_utils-test
Bug #2407
: Incorrect grompp net charge warning
Bug #2409
: PME gather CUDA kernel failing on Fermi
Bug #2414
: -multidir not working due to erroneous use of MPI_Comm_create
Bug #2418
: Incorrect results with Nose-Hoover temperature coupling
Bug #2424
: LJ force and energy incorrect with cutoff-scheme=group and gcc 6
Bug #2431
: mdrun -multidir fails with single directory
Bug #2432
: mdrun multidir fails with separate PME ranks
Bug #2433
: Error in MPI_Allreduce when applying AWH biasing and for multiple sharing biases
Bug #2434
: wrong values accumulated to dvdlambda in SHAKE with FE calcs
Bug #2436
: Attempt to read file pointer fplog = nullptr with AWH
Bug #2439
: AWH deconvolution not working for sharing simulations
Bug #2441
: Value of AWH coordinate not set for certain numbers of MPI ranks
Bug #2443
: clang 6.0 with CUDA support restrictions
Bug #2444
: Eneergy minimization crashes due to vsites
Bug #2446
: Spike in COM pulling force at checkpoint continuation with geometry=direction-periodic
Bug #2447
: "gmx mdrun -maxh" not working with AWH
Bug #2455
: Incorrect virial with AWH and domain decomposition
Bug #2457
: mdrun maxh not working (except for -multidir?)
Feature #2130
: n2t files are undocumented
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