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Changes

version 0.22.0

  • Removal of original "ansi" I/O (Issue 284). The "ansi" parallel i/o has been removed in favour of mpi/io for lattice quantities. This change should be transparent in most cases. Old "ansi" parallel i/o restart files will no longer work if the there was more than one output file per step. See e.g., https://ludwig.epcc.ed.ac.uk/outputs/fluid.html

  • In a related change, there is a slight change in the way porous media files are read at start time. See, e.g., https://ludwig.epcc.ed.ac.uk/inputs/porous.html

  • Please use "lb_fluctuations" instead of "isothermal_fluctuations" in the input if you need fluctuations in Navier-Stokes.

  • A lubrication correction between ellipsoids and plane walls has been added. See https://ludwig.epcc.ed.ac.uk/inputs/walls.html

  • There has been a change to the config.mk file which involves the way the tests are run: only the "LAUNCH_MPIRUN_CMD variable is now used. See https://ludwig.epcc.ed.ac.uk/building/index.html

  • Various minor code improvements, and improvements in testing.

version 0.21.0

  • Ellipsoids. A feature which allows ellipsoidal particles to be used has been added by Sumesh Thampi.

  • "colloid_type" has been split into a number of more general properties including: boundary condition (bc) either bbl or subgrid; shale either "disk", "sphere", or "ellipsoid"; active (logical); magnetic (logical). The default is: bc = bbl, shape = sphere, active = no, magnetic = no. There are some conditions, e.g., "disk" expects a 2D D2Q9 model. This affects the way colloid details are specified in the input. Older colloid state files should still work. See https://ludwig.epcc.ed.ac.uk

  • There is no longer an option available for field halo swaps; the scheme has been consolidated is always the same (for CPU). GPU run time configuration is pending. Halo information is still available https://ludwig.epcc.ed.ac.uk/inputs/parallel.html

  • If you use a 2-dimensional system (L_z = 1) with an order parameter, you must use a 2d gradient calculation. This is related to the (non-) treatment of halo swaps in the third dimension for fields.

  • A colloid_buoyancy option has been added which is similar to colloid_gravity but computes a force proportional to colloid volume. See https://ludwig.epcc.ed.ac.uk/inputs/colloid.html#external-forces

Bug fixes:

  • Issue 270: a colloid with an initial position placed exactly at a sub-domain boundary can fail to be attached to the cell list in some circumstances causing a crash. This has been fixed by adding a small position adjustment, or if this doesn't work, failing with a message.
  • Issue 268: if using wetting information read from porous media files, the form of the key words in the input file has been adjusted. See https://ludwig.epcc.ed.ac.uk/inputs/porous.html

version 0.20.1

  • Issue 271: missing stub prevents compilation at some compiler optimisation levels.

version 0.20.0

version 0.19.1

  • Fix bug in io_subfile to prevent failure at iogrid > 1.

version 0.19.0

  • There has been a significant change to the way that i/o is undertaken. See https://ludwig.epcc.ed.ac.uk/outputs/fluid.html It is the intention to replace completely the 'old' I/O mechanism by release v0.21.0.

  • The extract_colloids.c utility has been updated so that it takes only one command line argument for new I/O metadata.

  • Input associated with the choice of force arising from the free energy sector has been made more general. Specifically, input keys fd_force_divergence and fe_use_stress_relaxation are replaced.

  • Order parameter statistics are now reported as "phi" for scalars [Px,Py,Pz] for vectors, and [Qxx, Qxy, Qxz, Qyy, Qyz] for liquid crystal. The computation of the total has been improved by using a compensated sum, which is more robust to threads/MPI.

  • Added compiler option information and git commit information at run time.

  • The LaTeX tutorials document has been replaced by html tutorials at https://ludwig.epcc.ed.ac.uk/ to reflect new I/O and to add a number of new topics.

  • LTGM.com analysis has been retired as the service has closed. The two outstanding recommendations are covered by CodeQL notes.

  • Various minor updates.

version 0.18.0

version 0.17.2

  • Bug fix (issue #204) prevent crashes with s7_anchoring related to proximity of wall/colloid or colloid/colloid. Advice added to documentation on avoiding such close approaches.

version 0.17.1

  • Bug fix (issue #197). The liquid crystal reduced field strength was reported incorrectly in the output (always zero). Thanks to Oliver H. for spotting.

version 0.17.0

  • add liquid crystal anchoring "fd_gradient_calculation s7_anchoring"

  • add option for rectilinear grid format vtk output "extract -l"

  • add option for 2d random nematic "lc_q_initialisation random_xy"

  • A functional AMD GPU version is now available using HIP.

  • Various minor improvements

version 0.16.1

  • And get the version number right!

version 0.16.0

  • Improved host halo swaps are available. The implementation of the reduced distribution halo has been replaced with one that will work in all circumstances for a single distribution. See https://ludwig.epcc.ed.ac.uk/inputs/index.html Parallelism for details. No user action is required if you are not interested.

  • Reinstated the boundary (wall) - colloid soft sphere potential. See https://ludwig.epcc.ed.ac.uk/inputs/colloid.html Thanks to Rishish Mishra for spotting this problem.

  • Various minor updates.

version 0.15.0

  • Active stress implementation is updated to conform to the documented case; active emulsion stress is available.
  • Add ability to rotate BPI and BPII liquid crystal initial conditions Thanks to Oliver H. for this. See Section 3 of web documentation.
  • A diagnostic computation and output of the force breakdown on each colloid has been added. This is currently via a static switch in stats_colloid_force_split.c
  • An option for a "lap timer" is now provided.
  • Some simple open boundary conditions for fluid and binary composition are available. See the "Open boundaries" section at https://ludwig.epcc.ed.ac.uk/
  • Some refactoring of the lattice Boltzmann basis information has been performed in order to be able to move to a more flexible approach. This should have no practical impact at present.

version 0.14.0

  • Add a ternary free energy. Thanks to Shan Chen and Sergios Granados Leyva.
    • See https://ludwig.epcc.ed.ac.uk/inputs/fe.html
    • Added various initial ternary configurations.
    • Allowed uniform wetting from input via free energy parameters.
    • Added various porous media style initialisations from input; input handling has changed slightly.
    • Updated the util/capillary.c code to use the standard map structure, and standard output functionality.
  • Add back an operational surfactant free energy. There is no dynamics available yet.
  • Add unit tests for the the same.
  • Add a description of how to add a free energy to free_energy.h
  • Unified CPU/GPU short regression tests.
  • Compilation of target HIP updated for AMD platform. See config/unix-hpcc.mk.

version 0.13.0

  • Add report on compiler and start/end times.
  • Add report on key/value pairs which appear in input but are not used at end of execution.
  • Added compensated sums for binary order parameter sum statistic to improve robustness of result to round-off. Additional compensation in time evolution for Cahn-Hilliard update.
  • Add pair_ss_cut_ij interaction: a cut-and-shoft soft sphere potential with pair-dependent parameters. Thanks to Qi Kai.
  • Added subgrid offset parameter; this replaces ah in the computation of the drag force (typically aL >> ah).

version 0.12.0

  • Allow user to specify a linear combination of slip and no-slip for plane walls. This was originally implemented by Katrin Wolff when at Edinburgh, and has been resurrected with the help of Ryan Keogh and Tyler Shendruk. See https://ludwig.epcc.ed.ac.uk/inputs/walls.html
  • Various minor code quality improvements
  • Extended target abstraction layer to include HIP (only tested via HIP_PLATFORM_NVCC so far). Thanks to Nikola Vasilev for this.
  • Various minor code quality improvements

version 0.11.0

  • Add external chemical potential gradient in Cahn Hilliard for free energy symmetric. Thanks to Jurij Sablic (jurij.sablic@gmail.com).
  • Add Arrhenius viscosity model for compositional order parameter
  • Add the ability to run both subgrid and fully resolved particles at the same time. Thanks to Qi Kai (kai.qi@epfl.ch) for this.
  • Various code quality updates

version 0.10.0

  • Added an option to fix colloid position or velocity on a per-direction basis, e.g. colloid_isfixedrxyz 1_1_0 allows movement in z-direction only. Any value is overridden by colloid_isfixedr. An analogous option colloid_isfixedvxyz is available.
  • Added target thread model information to output
  • Refactored d_ij and e_ijk from char to int8_t to avoid potential pitfalls with default unsigned char.

version 0.9.3

  • Allow stress relaxation option in bare liquid crystal free energy

version 0.9.2

  • Moved input section in porous media docs to online version only

version 0.9.1

  • Disallow porous media files using "status_with_h" as erroneous. Use "status_with_c_h" instead.
  • Bug fix: allow colloid wetting by default.

version 0.9.0

  • The build process has changed to try to move all the configuration to the config.mk file. Please see updated examples in the ./config directory. The configs are either serial or parallel (not both). The build process should now be from the top level and is via "make && make test". Serial builds should do "make serial" first.

  • You should be able to type "make" in any directory and the local default target will be built.

  • Executables in utils are built via "make" to be consistent with other source directories

  • Added input colloid_rebuild_freq (with default 1) to allow discrete rebuild to be done less often than every time step

  • Regression tests have been re-organised into different directories and are run on a per-directory basis (see tests/Makefile)

  • The default test is regression/d3q19-short

  • A link to new build and test instructions has been made available from the README

  • Added travis .travis.yml and relevant config file

  • Fixed gcc -Wformat-overflow and a number of other warnings

version 0.8.16

  • add option for uniform composition via "phi_initialisation uniform"
  • fix composition replacement bug (was dependent on charge psi)

version 0.8.15

  • fix "weight = 0" problem in replacement of fluid for binary order parameter and add test (issue 30)

version 0.8.14

  • add html placeholder

version 0.8.13

  • add option for density output via "rho" commands in input

version 0.8.12

  • allow force divergence method to see porous media

version 0.8.11

  • updated util/length_from_sk.c to take double input to be consistent with extract output

version 0.8.10

  • Add vtk format output for composition, velocity, in extract; automatically detect input format
  • Replace dubious assertion in stats_symmetric_length()

version 0.8.09

  • Avoid zero-sized allocations in wall.c

version 0.8.08

  • Repaired util/colloid_init.c
  • Separate vtk scalar order / director / biaxial order files

version 0.8.07

  • Updated the extract program to include vtk headers
  • Added some Bond number test examples regression/d3q19/serial-bond-c01.inp

Version 0.8.05

  • Added the option to specify fixed liquid crystal anchoring orientation from the input.

Version 0.8.04

  • Fixed bug in device halo swap.

Version 0.8.0

  • The constraint that the number of MPI tasks divide exactly the system size in each direction has been relaxed. Logically rectangular, but uneven decompositions are computed automatically if required.

  • Output format in parallel. Files for a given I/O group now appear with data in a format which is independent of parallel decomposition. This means an 'extract' step is no longer required. It also means files generated with previous versions will no longer work as input.

  • Different collision relaxation time schemes are now available by using the 'lb_relaxation_scheme' input either ('bgk', 'trt', or 'm10'). The default is unchanged ('m10').

  • An option for a 'split' treatment of symmetric and antisymmetric stress arising from the thermodynamic sector has been introduced. This is via the input key 'fe_use_stress_relaxation yes'. This introduces the symmetric part of the stress as a relaxation in the collision, while the anti-symmetric part is via the force (via divergence). The default is still to treat the whole stress via the divergence.

  • A 'second active stress' is now available for active liquid crystals.