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					CFD-ACE+ 2003 Release Notes



                                            CFD-ACE+
                                     (GUI V2003.0.124, SOLVER V2003.0.23)
                                                  Release Notes
                                               September 17, 2003


1. General Notes
1.1       Platforms Supported
CFD-ACE+ Version 2003.x supports the following platforms:
      •    Windows XP/2000/NT on Intel or AMD (32-bit)
      •    Linux Red Hat 7.2+ on Intel or AMD (32-bit)
      •    HP-UX 11.0+ on PA-RISC (32-bit)
      •    HP-UX 11.0+ on PA-RISC (64-bit)
      •    HP-UX 11.22+ on Itanium2 (64-bit)
      •    SGI IRIX 6.5+ on MIPS (32-bit)
      •    SGI IRIX 6.5+ on MIPS (64-bit) - [not yet available]
      •    SUN Solaris 8+ (32-bit)
      •    SUN Solaris 8+ (64-bit)
      •    DEC OSF 4.0D+ on Alpha (64-bit) - [limited functionality, last release]

1.1.1      SGI Platforms

It is recommended that all users on SGI platforms upgrade their OS level to at least 6.5.6. If you cannot
upgrade the OS level to 6.5.6, at least upgrade the runtime environment to 6.5.6m or equivalent.

1.1.2      Linux Platforms

Users running Red Hat 8.0+ should ensure that they have a complete installation. It is especially important
that RedHat 7.x compatibility libraries be installed.

1.2       Browsers
The online help system is known to work properly when viewed with Internet Explorer 6+ (MS-Windows)
and Netscape 6+ (MS-Windows, Linux). Under Netscape 4.x and earlier, we have encountered frame
display problems and occasional browser crashes. On UNIX platforms where Netscape 6+ is not
available, the Mozilla browser may be a suitable alternative.

1.3       Name Change
To more consistently name our products, the names of the CFD-ACE+ GUI and Solver components have
been changed. The graphical user interface is now called CFD-ACE-GUI, and the solver is now called
CFD-ACE-SOLVER. You may need to adjust the target solver (under Edit -> Preferences -> Tools) to be
CFD-ACE-SOLVER in order to ensure that you run the V2003 solver.



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September 18, 2003                                                                                          1
CFD-ACE+ 2003 Release Notes


2. Major New Features
This section lists the major new features by version number, starting with the latest version.

2.1       CFD-ACE+ (GUI V2003.0.124, SOLVER V2003.0.23) – September 17, 2003
This is primarily a maintenance release and no major new features have been implemented. Please see
the Corrected Problems section below for a list of bug fixes made for this release.

2.2       CFD-ACE+ (GUI V2003.0.112, SOLVER V2003.0.15) – July 29, 2003
This is primarily a maintenance release and no major new features have been implemented. Please see
the Corrected Problems section below for a list of bug fixes made for this release.

2.3       CFD-ACE+ (GUI V2003.0.104, SOLVER V2003.0.13) – July 1, 2003
This is primarily a maintenance release and no major new features have been implemented. Please see
the Corrected Problems section below for a list of bug fixes made for this release.

2.4       CFD-ACE+ (GUI V2003.0.90, SOLVER V2003.0.8) – May 29, 2003
The CFD-ACE+ Graphical User Interface has had many improvements, the most significant of which are
discussed here.

2.4.1      New Database Manager

•     A much more user-friendly database manager has been incorporated
•     CFDRC is providing many “standard” database entries
•     Fully extendable by the user
•     Allows sharing and re-use of common simulation data.
      •    Material Properties (solids and fluids)
      •    Chemistry Data (elements, species, mixtures, and buffers)
      •    Biochemistry Data (analytes, buffers, sites, and receptors)
      •    Chemical Reactions (general and biochemical reactions)
      •    Surface Reactions (general and biochemical reactions)

2.4.2      Model Explorer Improvements

•     The model explorer has been extended to allow for easier navigation of your boundary and volume
      conditions
      •    Allows easier picking, grouping, and sorting of boundary and volume conditions
      •    Boundary and volume conditions can be automatically grouped by type
      •    Interface boundary conditions no longer show as duplicates

2.4.3      Online Help System

•     The CFD-ACE-GUI now takes advantage of an online help system. Context-sensitive help will take
      you directly to the help text for any given subject. Index and search functions are built in.


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CFD-ACE+ 2003 Release Notes


    •   This is the first release of online help and we have converted the former paper documentation to
        online help.
    •   We will continually improve the online help to make it easier to navigate and more content rich
        with every point release.

2.4.4   Tabular Input Improvements

Pop-up tables are now used to input and display profile data.
The CFD-ACE+ Solver has undergone many improvements and new functionality in almost all of the 18+
physics modules that it supports. Although each change is important to the specific user that requested
that improvement, we list only the most significant items here.

2.4.5   Adaptive Time Step Control

•   A generalized adaptive time step selection capability has been added for transient problems that allow
    the solver to dynamically set and optimize the time step size. Solution run times can be dramatically
    reduced!

2.4.6   Better Solution Restart Control

•   You can now control restart solutions on a module-by-module and/or volume-by-volume basis
    •   Use previous solution values for some modules or volumes and constant values for others

2.4.7   Solver Output Improvements

•   Transient solution files can be written at constant time intervals that allow better animation of transient
    solutions that use adaptive time step control
•   Save steady-state solutions with uniquely named (iteration stamped) files that allow you to animate
    how solution convergence is progressing
•   Solution residuals available for output to graphics file for visualization in CFD-VIEW
•   All variables available for output at a monitor point

2.4.8   User Subroutine Improvements

•   Grid connectivity information is now available with new access routines
•   Added access routines for porous media settings and properties

2.4.9   Stress Module Improvements

•   The finite-element stress solver built into CFD-ACE+ has undergone significant changes with the
    addition of new matrix solvers
    •   Use much less memory (10-20x less) than the previous matrix solvers
    •   Comparable in speed to the old matrix solvers. Some cases may be slower than with the previous
        solvers, but all cases should be within a factor of 1.5x.
    •   Allows much larger or more complex stress simulations to be run with CFD-ACE+
•   Several element types have been introduced/improved
    •   Hexahedral elements updated to account for shear-locking and now give much more accurate
        results for bending dominated problems


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September 18, 2003                                                                                           3
CFD-ACE+ 2003 Release Notes


    •   New solid-shell element has been added which allows shell elements to be stacked
    •   Shell element conversion can now be made on volume-by-volume basis

2.4.10 Free Surface (VOF) Module Improvements

•   Multi-to-One grid systems are supported with VOF
    •   2-1 or 4-1 cell match for 3D grid systems and up to 50-1 in 2D
    •   Make finer cells where needed and coarser cells in other areas to save computation time
    •   Use structured grid systems built with block-coarsening feature of CFD-GEOM
    •   Use polyhedral grid systems built with CFD-VisCART
•   Support for arbitrary interface boundary conditions has been added
    •   Restriction that the free surface front cannot cross the arbitrary interface
•   Support for the Marangoni effect has been removed from the GUI
    •   This was available but reported not to work in the previous release. The option has been removed
        until numerical difficulties can be resolved.

2.4.11 Chemistry Module Improvements

•   Full support for bio-chemical reactions has been added to the chemistry module
    •   Bio-chem reactions now take advantage of the robust and proven technology of the chemistry
        module
    •   Electroplating simulations take advantage of the full chemistry module. They can be implemented
        by combining the Electric and Chemistry modules

2.4.12 Plasma Module Improvements

•   Electron Transport Properties and electron induced Reaction Rates calculated using Kinetic Module
•   Enhancements for simulations of high pressure non-equilibrium plasmas (Look Up Tables)
•   Expanded Databases and additional capabilities for Plasma Reactions
•   Monte Carlo model for ion and neutral transport
•   Under-relaxation practices for Plasma models have been changed in order to improve convergence.
    You should expect your convergence behavior for Plasma models to change.
•   External circuit simulator (SPICE) coupled to reactor models (BETA capability, consult CFDRC
    support for details)

2.4.13 Kinetic Module Improvements

•   Electron Boltzmann solver fully coupled with other modules for ICP, CCP and DC plasma simulations
•   Global Kinetic Model for sensitivity analysis and validation of reaction mechanisms

2.4.14 Turbulence Module Improvements

•   We have added the Menter Shear Stress Transport (SST) turbulence model
    •   Combines the best features of the k-epsilon and k-omega turbulence models


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September 18, 2003                                                                                      4
CFD-ACE+ 2003 Release Notes


•     Added the ability to specify turbulence intensity for boundary conditions and initial conditions

2.4.15 Radiation Module Improvements

•     An automatic boundary patch breakup capability as been added
      •    You no longer have to subdivide your boundary patches during grid generation
•     The ability to run Monte-Carlo radiation simulations in parallel execution mode has been added
•     Monte-Carlo radiation simulations can now be run with deforming grids
•     Improvements have been made to the Discrete Ordinate Method (DOM) radiation model solver
      •    Full field solver gives much faster convergence and shorter overall run times

2.4.16 Electric and Magnetic Module Improvements

•     A coupled solver has been added for frequency domain problems
      •    Solves real and imaginary parts simultaneously
      •    Significantly enhances the convergence rate
•     Thin walls can now be used with the magnetic module

2.4.17 Deformation Module Improvements

•     Deforming grid cases can now be run in parallel mode

3. Corrected Problems
Listed below are the corrected problems starting with the most recent release. If you have any questions
about these corrected problems or need clarification on the chance that it affects your simulations, please
contact support@cfdrc.com.

3.1       CFD-ACE+ (GUI V2003.0.124, SOLVER V2003.0.23) – September 17, 2003
This release focused mainly on bug fixes and the major ones can be found below. They are split into two
sections (CFD-ACE-GUI and CFD-ACE-SOLVER).

3.1.1      Problems Fixed in CFD-ACE-GUI

Number: 18008
Summary: User Scalar definition (on the MO page) not journaled correctly
Diagnosis: As described. Now fixed.
Users Affected: Script users accessing User Scalar module
Version Fixed: 2003.0.115


Number: 18371
Summary: Wrong molecular weight for SI2 in CFDRC database
Diagnosis: Data was wrong
Users Affected: Chemistry users who use SI2


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September 18, 2003                                                                                       5
CFD-ACE+ 2003 Release Notes


Version Fixed: About 2003.0.113 (Database modifications are made independently of GUI builds)


Number: 18448
Summary: Note describing piezoelectric coupling matrix (VC:Properties:Piezo) was incorrect.
Diagonsis: The note was corrected.
Users Affected: Stress and piezoelectric users
Version Fixed: 2003.0.113


Number: 18456
Summary: Error in concentration exponents for several steps of Plasma:Nitrogen Reaction mechanism.
Diagnosis: At V2003 release the following 6 Plasma Reactions were improperly updated: Argon,
C2F6_O2_65s, CF4, Chlorine, Nitrogen, and Oxygen. The V2002 mechanisms were corrected and
restored.
Users Affected: Those using the affected Plasma Reaction mechanisms
Version Fixed: V2003.0.113


Number: 18458
Summary: Incorrect concentration exponent for Argon[1]_high_pressure reaction step
Diagnosis: Reaction step AR++2AR->AR2++AR had concentration exponents given as 1 and 1 but should
have been 1 and 2. This error was present in V2002 as well but has now been corrected.
Users Affected: Those using the Plasma Reaction mechanism
Version Fixed: V2003.0.113


Number: 18480
Summary: Ctrl-A picks all the items including blanked items.
Diagnosis: This behavior was in accordance with the original design. However, after internal discussion,
the behavior has been changed so that only visible entities will be picked. This will appear correct when
attention is focused on the graphics window. However, it may now appear odd if attention is focused on
the explorer list.
Users Affected: All
Version Fixed: 2003.0.118


Number: 18507
Summary: GUI dies when the DTF content button is clicked.
Diagnosis: User had two different instances of GUI viewing the same file and this triggered and error in the
DTFViewer library. It has now been corrected.
Users Affected: Likely very few. Would have required circumstances described above.
Version Fixed: 2003.0.124.


Number: 18618

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September 18, 2003                                                                                          6
CFD-ACE+ 2003 Release Notes


Summary: File Save did not sense molecular weight change in database
Diagnosis: Modified flag was not set correctly. This could potentially happen for the last viewed material if
it was modified.
Users Affected: Potentially all database users
Version Fixed: 2003.0.117


Number: 18849
Summary: Boundary mixtures set to “none” when changing between mixture mass fraction and species
mass fractions
Diagnosis: This is the originally implemented behavior of the code. Because it is inconvenient for user it
has now been changed so that boundary mixtures will be retained if the chemistry solution option is
toggled.
Users Affected: Chemistry Users. Note that not all problem types actually support both Mixture Fraction
and Species Fraction options.
Version Fixed: 2003.0.120


Number: 18946
Summary: GUI failed to write solid density and Young's modulus to DTF file in some rare situations.
Diagnosis: As described in summary. Now fixed.
Users Affected: Those using the Stress option (but rarely)
Version Fixed: 2003.0.122


Number: 18968
Summary: Cannot keep multi-level folder in the reaction manager
Diagnosis: As described. Now corrected.
Users Affected: Reaction database users trying to create a new sub-folder
Version Fixed: 2003.0.121


Number: 18955
Summary: Conservation of species + Stefan Maxwell" (for Gas Mixing Rule) is not stored in GUI from
Database
Diagnosis: As described. Now fixed.
User Affected: Those setting gas-mixing rule in database
Version Fixed: 2003.0.120


Number: 19130
Summary: Crash on import of CGNS file version greater than 2.0
Diagnosis: CGNS library used was for version 2.0. CGNS function returned error code that was not
properly handled. New library was installed and linked (Version 2.2) and error handling was corrected.
Users Affected: Any importing CGNS file with version number greater than 2.0

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September 18, 2003                                                                                           7
CFD-ACE+ 2003 Release Notes


Version Fixed: DTFOL_ACE+ library version 2003.0.13 and 2003.1.16 (September 8, 2003)


Number: 19132
Summary: Porous Media VC tab displays properties info
Diagnosis: This could happen after saving.
Users Affected: All using porous media
Version Fixed: 2003.0.121


Number: 19134
Summary: Material folder name change will cause all data loss.
Diagnosis: Folder name change was not properly handled. Now corrected.
Users Affected: All database users changing folder names
Version Fixed: 2003.0.122

3.1.2   Problems Fixed in CFD-ACE-Solver

Number: 16953
Summary: Parallel fuel cell problem shows unphysical values near processor boundary.
Diagnosis: This is related to reading of incorrect boundary condition sub type from DTF file. It has been
fixed.
Users Affected: Users running fuel cell cases in parallel
Version Fixed: V2003.0.19


Number: 17809
Summary: Momentum resistance causes crash if polyhedral geometry is not defined in CFD-ACE-GUI
Diagnosis: This is related to momentum resistance model for polyhedral geometry. Solver crashes if user
did not enter x,y,z values for polyhedral geometry. Proper error message has been added.
Users Affected: User using momentum resistance model for polyhedral geometry
Version Fixed: V2003.0.16


Number: 17936
Summary: Mach number output is wrong at rotating wall.
Diagnosis: Rotating wall velocity was not taken into account for Mach number calculation. This was just
output error. It will not change results.
Users Affected: Those using Mach number output and have rotating wall
Version Fixed: V2003.0.16


Number: 18162
Summary: Problem with turbulence convergence in Porous media



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September 18, 2003                                                                                          8
CFD-ACE+ 2003 Release Notes


Diagnosis: Solver has been modified to improve the convergence
Users Affected: Those using turbulence and porous media together
Version Fixed: 2003.0.16


Number: 18187
Summary: Parallel case does not run on windows if full path is more than 80 charaters.
Diagnosis: Now we read full path (up to 1024 characters) and break it in directory path and dtf_file_name
Users Affected: Those running parallel on windows
Version Fixed: V2003.0.18


Number: 18238, 18361
Summary: Spring BC does not work in Stress
Diagnosis: There was a bug in reading the spring bc data from DTF file.
Users Affected: Those using spring bc loads
Version Fixed: v2003.0.16


Number: 18240
Summary: Hemolysis case crashes
Analysis: The maximum number of particle position was hardwired. Now, we use users defined maximum
number of particle position to calculate hemolysis rate.
Users Affected: Users using hemolysis module
Version Fixed: v2003.0.17


Number: 18242
Summary: Analyte units should show as Molar (M) instead of mole
Diagnosis: Units for species concentration in liquid chemistry/biochemistry cases now displays as molar
instead of mole.
Users Affected: Those using liquid biochemistry/biochemistry
Version Fixed: v2003.0.18


Number: 18382
Summary: Problem with expression calculation
Diagnosis: Solver has been modified to be able to handle negative bases for powers close to an integer.
Users Affected: Those using expression for negative bases for powers close to an integer
Version Fixed: 2003.0.17


Number: 18386
Summary: Heat flux summary output is wrong at thin-wall


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September 18, 2003                                                                                        9
CFD-ACE+ 2003 Release Notes


Diagnosis: Heat transfer summary was calculated based on two adjacent cells instead of cell center and
face center temperature.
Users Affected: Those using thin-wall and heat flux summary output.
Version Fixed: V2003.0.16


Number: 18407
Summary: Solver stops for arbitrary interface and grid deformation problem with eplate module is on.
Diagnosis: Logical variable is initialized before the allocation routine is called. So the arrays were never
allocated. It has been fixed.
Users Affected: Those running transient problem with arbitrary interface and electroplating
Version Fixed: v2003.0.17


Number: 18408
Summary: 3D tetrahedron deformation case takes much more memory
Diagnosis: Tetrahedron was treated as prism inside deformation module, causing it to take much more
memory
Users Affected: Those using prism deformation
Version Fixed: V2003.0.16


Number: 18452
Summary: Constant time output does not work if case is restarted and continuation is on
Diagnosis: Time was not set properly and under the above condition, output file was written at every time
step
Users Affected: Those using Constant time output with restart and continuation
Version Fixed: V2003.0.16


Number: 18459
Summary: AMG solver takes very large time for some iterations
Diagnosis: Flex AMG cycle is used for some variables and it was taking millions of cycles to converge. We
have limited it 100,000 cycles.
Users Affected: Those using AMG cycles
Version Fixed: V2003.0.18


Number: 18475
Summary: Solver writes special characters in model.out file
Diagnosis: If none of the variables is selected as an output for monitor point, solver writes un-initialized
variable
Users Affected: Those using monitoring point
Version Fixed: 2003.0.16


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September 18, 2003                                                                                             10
CFD-ACE+ 2003 Release Notes



Number: 18518
Summary: Output at specified frequency does not work for stress cases.
Analysis: This feature was not implemented in code. The reason is internally we convert steady state
solution into one big large time step transient case. It has been implemented.
Users Affected: Those running Stress, Grid deformation in steady state mode
Version Fixed: v2003.0.21


Number: 18584
Summary: Solver crashes for two-fluid if swirl is on
Diagnosis: Initial conditions were not done properly for two-fluid if swirl is on
Users Affected: Those using two-fluid and swirl together
Version Fixed: V2003.0.18


Number: 18594, 18712
Summary: vonmises stress value is missing in monitor point output.
Diagnosis: GUI is writing a different value for variable form what solver is expecting. Solver has been
corrected.
Users Affected: Those who ask to output vonmises stress for monitor point output
Version Fixed: v2003.0.18


Number: 18604
Summary: Fuel cell cases do not restart smoothly if membrane model is used for electrical conductivity.
Liquid water transport does not work in parallel.
Diagnosis: We need to store electrical conductivity to restart smoothly. Additional data needs to be
transferred for liquid water transport in parallel.
Users Affected: Those using a membrane model for electrical conductivity and restart. Users running
liquid water transport in parallel.
Version Fixed: V2003.0.18


Number: 18610
Summary: model_FEM.RSL file is not removed before starts writing for a fresh run
Diagnosis: We are not deleting the model_FEM.RSL file before writing. We are relying on FORTRAN
compiler to do that. It works fine on windows but does not on Linux. Now, solver deletes if it exists and
then open again for writing.
Users Affected: Those running non-linear problem on Linux machine
Version Fixed: v2003.0.18


Number: 18648
Summary: Solver crashes when using stress with piezo and contact analysis

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September 18, 2003                                                                                          11
CFD-ACE+ 2003 Release Notes


Diagnosis: Memory was deal located for fixed voltage bc unintentionally. It has been protected now.
Users Affected: Those using stress with Piezo, fixed voltage bc, second order, and contact analysis
Version Fixed: v2003.0.18


Number: 18650
Summary: Unable to run single layer standard quad elements
Analysis: shape functions were calculated assuming clockwise order of node numbering. It has been fixed
now.
Users Affected: Those using quad elements may find this problem. This problem is more visible in stress
calculations not much in displacement.
Version Fixed: v2003.0.21


Number: 18664
Synopsis: Enthalpy Method within Two Fluid Module gives wrong results
Diagnosis: Temperature calculation in solid domain should not use enthalpy-method of two-fluid. It has
been protected properly.
Users Affected: Those using two-fluid module with enthalpy method, multi-domain, including solid regions
Version Fixed: v2003.0.20


Number: 18667
Summary: Stop the code if shell direction is not specified.
Diagnosis: Solver was assuming the z-direction as shell surface. Now, solver will error stop if shell
direction is not specified.
Users Affected: Those using shell elements and not specified shell surface (thickness) direction.
Version Fixed: v2003.0.18


Number: 18678
Summary: Unable to reproduce the results using v2003
Analysis: There were many reasons why we could not do it. When this case was originally run, we had
different contact modeling. During this process, we have improved the contact model (wiser in choosing
spring factor for contact elements, increased the size of target face, spring factor is also a function of area
weighted for each target face), fixed some bugs related to FSI restart, FSI grid motion relaxation.
Users Affected: Those using contact model, or FSI problem with grid relaxation other than 1.0
Version Fixed: v2003.0.21


Number: 18684
Summary: Stress solution for modal analysis is not writing eigen values and frequencies in output file.
Diagnosis: Output has been added to model.out file.
Users Affected: Those using modal analysis
Version Fixed: v2003.0.18

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September 18, 2003                                                                                          12
CFD-ACE+ 2003 Release Notes



Number: 18688
Summary: No Flow condition gives very small residual if deformation is on
Diagnosis: This is related to optimization and we get very small numbers instead of zero. We need to
compile grid velocity calculation routine under lower optimization.
Users Affected: Those using flow and deformation on Linux
Version Fixed: V2003.0.18


Number: 18690
Summary: Unable to restart Non linear material stress cases
Analysis: We are not storing required information for restart for non-linear material cases. It has been
added to DTF file.
Users Affected: Those restarting for FSI problem or non-linear material
Version Fixed: v2003.0.21


Number: 18741
Summary: Unable to run non linear material model with triangle elements, same problem can be run if
user has quad elements
Analysis: This problem was running with v2002. When investigated we found Gaussian integration
scheme was different. V2002 was using 1/3 scheme where as v2003 is using standard. Now, 1/3 scheme
has been used in v2003 also. Textbooks say both are equally stable and robust.
Users Affected: Those using triangle elements may see small difference (negligible or minor) in results.
Version Fixed: v2003.0.21


Number: 18786
Summary: Yplus output shows very small values for interior cells
Diagnosis: It has been reset to zero for output
Users Affected: Those using yplus output
Version Fixed: V2003.0.20


Number: 18801
Summary: Zero porosity might create NaN for unsteady case
Diagnosis: This was because of divide by zero
Users Affected: Those using porous media and unsteady case
Version Fixed: V2003.0.20


Number: 18896
Summary: Problem with sphere geometry initialization in VOF



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September 18, 2003                                                                                         13
CFD-ACE+ 2003 Release Notes


Diagnosis: Back-projection was used to find if cell is inside the sphere. Now, Distance from node to the
center of sphere has been used to find if cell is inside the sphere.
Users Affected: Those initializing vof with sphere geometry
Version Fixed: V2003.0.20


Number: 18978
Summary: VOF and gas phase chemistry problem might crash
Diagnosis: Mass fraction of the cell was not calculated properly
User Affected: Those using gas phase chemistry and vof together
Version Fixed: V2003.0.21


Number: 18999
Summary: Negative Values of density and Viscosity does not give error
Diagnosis: Solver will error stop if user enters negative values of density and viscosity
Version Fixed: V2003.0.21


Number: 11970, 18455
Summary: Solver is not giving warning/error message for wrong setup of contact-target pair name
settings.
Diagnosis: Solver ignores if contact - target pair names do not match and continue as if contact model is
not used. Now, solver error stops.
Users Affected: Those using stress and contact model with contact - target pair names do not match
Version Fixed: v2003.0.21


Number: 19033
Summary: MAX_ITER command does not work in MOD file
Diagnosis: MAX_ITER was reset to original value in VOF
Users Affected: Those using VOF and MAX_ITER in MOD file
Version Fixed: V2003.0.21


Number: 18773
Summary: Principal strain values are corresponding to principal stress values
Diagnosis: For calculation purposes most of stress codes use total (engineering) strain, which is twice for
actual strains in shear planes. Normal strains are same. When we calculate principal strains, we need to
take half of the total strain for shear components. We did not do that earlier. It has been fixed now.
Users Affected: Those asking for graphical output of principal strains
Version Fixed: v2003.0.23


Number: 18911


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September 18, 2003                                                                                      14
CFD-ACE+ 2003 Release Notes


Summary: Parallel problems for fuel cell cases
Diagnosis: Processor interface shows hot and cold spots. This problem was related to dtf_decompose
Version Fixed: dtf_decompose V2.2.8


Number: 18936, 18990
Summary: Solver dies reading monitor point file
Users Affected: This was related to Windows platform and will happen only if user is using old monitor
point text input format
Version Fixed: V2003.0.22


Number: 18969
Summary: Spray case crashes at second time step
Diagnosis: This problem is related to writing model.TRH file. It happens only if problem converges before
spray start iteration at the first time step. Now, we don't converge problem if spray has not started.
Users Affected: Those using transient spray and problem converges before spray has stated
Version Fixed: V2003.0.21


Number: 19063
Summary: Unrealistic value of VOF at solid-liquid interface
Diagnosis: VOF flux initialization was not done properly for moving grid cases. It has been fixed.
Users Affected: Those using VOF and grid deformation with initial non-zero wall moving velocity
Version Fixed: V2003.0.21


Number: 19085, 19064
Summary: cannot switch back from time interval to time step
Diagnosis: This problem is related to VOF and auto time stepping. Once you turn on constant time interval
output and then switch it back to constant time step output it will in fact give no output until the end.
Version Fixed: V2003.0.22


Number: 19098
Summary: Inlets don't diffuse for chemistry cases
Diagnosis: Diffusion was also switched off at inlets and outlets when there is no flow. It has been fixed.
Users Affected: Those using chemistry module with zero velocity at inlets and outlets
Version Fixed: v2003.0.21


Number: 19107
Summary: Solver error stops for negative pressure for spray cases




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September 18, 2003                                                                                           15
CFD-ACE+ 2003 Release Notes


Diagnosis: There is no need to check for negative pressure for incompressible flow. It has been protected
now.
Users Affected: Those using spray under incompressible flow
Version Fixed: V2003.0.22


Number: 19126
Summary: Large heat imbalance for Incompressible flow cases
Diagnosis: The mechanical energy (work done by pressure of surroundings of the system) was not
included in the summary. It has been added in the summary.
Users Affected: Those using incompressible flow and heat transfer will see small change in heat balance.
In almost all cases, this will be negligible.
Version Fixed: V2003.0.20


Number: 19133
Summary: Problem in box geometric initialization in VOF
Diagnosis: Position of cell center is used to determine if cell is full or empty but if box lies exactly at the
cell center, initialization might not be correct. Box size has been enlarged with a very small value to fix this
problem.
Users Affected: Those using box as VOF geometric initialization
Version Fixed: V2003.0.21

3.2     CFD-ACE+ (GUI V2003.0.112, SOLVER V2003.0.15) – July 29, 2003
This release focused mainly on bug fixes and the major ones can be found below. They are split into two
sections (CFD-ACE-GUI and CFD-ACE-SOLVER).

3.2.1    Problems Fixed in CFD-ACE-GUI

Number: 18378
Summary: Journaling will generate invalid script for piecewise linear functions
Diagnosis: This was incorrectly implemented at release of V2003. Now corrected.
Users Affected: Those using journal files to script access to piecewise linear functions. Now corrected.
Version Fixed: 2003.0.111


Number: 18415
Summary: Certain variables in Volume Reaction Mechanism were not written into DTF file, if the reaction
type is Finite Rate (Species Fraction approach in Liquid Phase).
Diagnosis: As described. Now corrected.
Users Affected: Gas Phase Reaction users who use "Species Fraction Approach in Liquid Phase" reaction
type
Version Fixed: 2003.0.112




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CFD-ACE+ 2003 Release Notes


Number: 18185
Summary: Cannot launch parallel job from GUI in Windows when software is installed under path with a
space in it (e.g., Program Files/…).
Diagnosis: As described. Now fixed.
Users Affected: All Windows users using parallel run from GUI
Version Fixed: 2003.0.106


Number: 18233
Summary: Journaled command for activating graphics output of velocity magnitude does not work
Diagnosis: Error in implementation created same script command for activating Velocity output and
Velocity Magnitude output. Now fixed.
Users Affected: Python Script users setting Graphic/Velocity output
Version Fixed: 2003.0.106


Number: 18262
Summary: GUI did not save reaction and surface reaction information in DTF file.
Diagnosis: When changing from biochemistry to general chemistry, GUI would not write general chemistry
reaction data into DTF file. Now fixed.
Users Affected: Those changing biochemistry to general chemistry
Version Fixed: and 2003.0.112


Number 17242, 18069
Summary: Initial mixture is missing when restart run is requested.
Diagnosis: When restarting, original Initial Conditions mixture was not included in the Active Mixtures and
Species list. The GUI would then fail to write the species data for the species in that mixture and the solver
would stop. The IC mixture is now remembered and species properties are correctly written.
Users Affected: Chemistry users performing restart could have been affected.
Version Fixed: 2003.0.105


Number: 17932
Summary: Expression input truncated at 80 characters
Diagnosis: Truncation at 80 characters did occur and if a legal expression still resulted no warning was
ever given. Truncation still occurs but an error message will now be written.
Users Affected: Those using long expressions for input
Version Fixed: 2003.0.105


Number: 18226
Summary: Crash for certain Initial condition settings when using scripting
Diagnosis: Cannot set Voltage in the script when you see both Electric Potential and Solid Electric
Potential. Duplicate IDNames were used. Add internal code to check Null pointer.

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September 18, 2003                                                                                         17
CFD-ACE+ 2003 Release Notes


Users Affected: Python script users setting Electr/Voltage initial conditon
Version Fixed: 2003.0.106


Number: 17242, 18069
Summary: Mixture name (initial value for mixture) is missing for restart
Diagnosis: When restarting, original selected mixture is not required by Solver but its properties are still
required. GUI will now write the mixture information.
Users Affected: Chemistry users performing restarts
Version Fixed: 2003.0.105


Number: 18185
Summary: Cannot launch parallel job from GUI in Windows when the full path name of the cfd-ace-mpi
command has a space in it.
Diagnosis: When the executable path has space in it, the pipe is broken for the second argument. This
has now been corrected.
Users Affected: Windows users using parallel run from GUI
Version Fixed: 2003.0.106

3.2.2   Problems fixed in CFD-ACE-SOLVER

Number: 18255
Summary: VOF and stream function output causes crash on Linux
Diagnosis: This is related to stream function output and caused by divide by zero. It has been protected
properly.
Users Affected: VOF and stream function output
Version Fixed: 2003.0.15


Number: 18260
Synopsis: Different results between 2002 and 2003 stress solvers
Diagnosis: There was bug in 2002 code related axisymmetric and piezoelectric problems. We were not
using radius in formulation.
Users Affected: Those using 2002 solver for Piezo and axisymmetric cases
Version Fixed: 2002.0.15


Number: 18105
Summary: The Relative Permeability set Using User Subroutine is inverted
Diagnosis: Setting of magnetic permeability via set_value_one_cell was actually setting 1/permeability.
Users Affected: Those setting magnetic permeability via set_value_one_cell
Version Fixed: 2003.0.13




D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                         18
CFD-ACE+ 2003 Release Notes


Number: 17888
Summary: Arbitrary interface capability for electroplating cases.
Diagnosis: After the arbitrary interface projection, interface faces were not defined as "Ignore" boundary
condition sub type. It has been fixed now.
Users Affected: Those using electroplating with arbitrary interfaces
Version Fixed: v2003.0.15


Number: 17442
Summary: Coverage option in surface chemistry not available
Diagnosis: The surface coverage option (COV keyword in CHEMKIN format) was not implemented in
V2003. In V2002 it was available through the Surface Chemkin input and solver. It has been implemented
in V2003 and can be activated through Surface CHEMKIN input and through native CFD-ACE+ input.
Users Affected: Those using COV option in (CHEMKIN) surface chemistry
Version Fixed: 2003.0.11


Number: 17833
Summary: Wrong species flux output if inlet diffusion is off
Diagnosis: Diffusive flux printed to output summary was not properly calculated if inlet diffusion was off.
Users Affected: Those using chemistry and inlet diffusion off
Version Fixed: 2003.0.14


Number: 18010
Summary: Wall motion due to deforming grid plus assigned velocity not calculated correctly.
Diagnosis: When a wall had both an assigned velocity (boundary value) and velocity due to grid
deformation the solver overwrote the assigned velocity with the deforming velocity. Now the two velocities
are properly summed.
Users Affected: Those using moving wall and deforming BC type on the same wall
Version Fixed: 2003.0.15


Number: 18137
Summary: License error when running ELECTRIC or MAGNETIC features
Diagnosis: For new licenses with ELECTRIC or MAGNETIC feature included, the license check was not
performed properly.
User Affected: ELECTRIC and MAGNETIC new license users
Version Fixed: 2003.0.14


Number: 18225
Summary: Restart of biochemistry with surface reactions does not restart smoothly.
Diagnosis: Required boundary face data for smooth restart was not written. It has now been implemented.


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September 18, 2003                                                                                            19
CFD-ACE+ 2003 Release Notes


Users Affected: Those who are restarting a biochemistry case that involves surface reactions
Versions Fixed: 2003.00.15


Number: 18256
Summary: Stream function output may causes crash on Linux if VOF module is on.
Diagnosis: Divide by zero may occur at zeroth time step. It has been protected.
Users Affected: Those using VOF module and asked for stream function output
Version Fixed: 2003.0.15


Number: 18267
Summary: Unable to compile user subroutine if get_module_index user access routine is called
Diagnosis: Argument type mismatch for user access routine get_module_index(). The documentation
shows wrong type. Documentation will be modified. The arguments for get_module_index(module_name,
module_index, solve_module, error) should have the types of character, integer, integer, and logical
respectively.
Users Affected: Those using the subroutine get_module_index()
Version Fixed: No solver fixed needed.


Number: 18071, 16171
Summary: Wrong BC Type error for certain boundary faces for arbitrary interface case
Diagnosis: This is a bug in DTF library. DTF API gives wrong bc record number when queried.
Users Affected: This is tricky. We think all users who are using arbitrary interfaces have a potential bug
(would be indicated by the error message “Wrong BC Type” in the output file.) If you see that error
message then you should rerun the case with the latest solver.
Version Fixed: 2003.00.15


Number: 18140
Summary: Arbitrary interface (skew term calculation) causes poor convergence and fails to conserve.
Diagnosis: This problem was due to way in which skew terms at the arbitrary interfaces are calculated. An
option has been added to change the way these terms are calculated. This option can be changed using
DTF -ud and updating the following variable. Use these options carefully.
    DTF Name: ARB_INT_SKEW_TERM_OPTION
    = 0 Default option. Include old faces and kill for new faces.
        This is robust but less accurate. For backward compatibility.
    = 1 include new faces and kill for old faces.
        This is less robust but more accurate. Newly created faces may have very small face angles and
        faces may be very small.
    = 2 kill for both faces. This is more robust but probably less accurate.
Version Fixed: 2003.00.15



D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                           20
CFD-ACE+ 2003 Release Notes


Number: 18143
Summary: Non-default product exponents for surface reactions are not used.
Diagnosis: Fixed in Solver to be inconsistent with CFD-ACE-GUI
Users Affected: Those using surface reactions with non-unity exponents for product exponents will be
affected. This will affect only general Arrhenieus reactions without backward rate by equilibrium.
Version Fixed: 2003.00.15


Number: 18151, 18159
Summary: Mixture fraction chemistry with equilibrium products might crash.
Diagnosis: If you use mixture fraction chemistry with equilibrium products and no hydrocarbon fuel, the
solver would fail with a core dump. It has been protected.
Users Affected: Those using mixture fraction chemistry with equilibrium products and no hydrocarbon fuel
Version Fixed: 2003.0.14


Number: 18161
Summary: Conjugate Walls with arbitrary interface has non-zero electric current flux values.
Diagnosis: Conjugate Walls for arbitrary interfaces should not have any other BC type except Ignore.
Currently solver assigns the same BC type as what user specifies (Flux = 0) in this case. These should be
ignored.
Users Affected: Those using the electric module with arbitrary interface at a conjugate wall
Version Fixed: 2003.00.15


Number: 18203
Summary: Incorrect wall velocities in FSI problem
Diagnosis: If Stress and Deformation are on and update frequency is set to a value greater than
MAX_ITER then wall velocities due to deformation will be wrong. Under above conditions deforming
velocity routine is called twice and velocity is reset to zero.
Users Affected: As described above
Version Fixed: 2003.0.15


Number: 18260
Summary: Different results between 2002 and 2003 stress solvers
Diagnosis: There was a bug in 2002 code related to axisymmetric and piezoelectric problems. We were
not using radius in the formulation. V2003 is producing the right results.
Users Affected: Those using the 2002 solver for Piezo and axisymmetric cases
Version Fixed: 2003.00.15


Number: 17888
Summary: Arbitrary interface gives incorrect results for electroplating cases.



D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                        21
CFD-ACE+ 2003 Release Notes


Diagnosis: After the arbitrary interface projection all the conjugate faces involved in projection retained
their original type. Now, they will be converted to "Ignore" type.
Users Affected: Those using the electric module with arbitrary interfaces
Version Fixed: 2003.00.15


Number: 18261
Summary: Anisotropic conductivity option set to yield isotropic conductivity yields results different from
isotropic conductivity.
Diagnosis: Several inconsistencies were found and corrected for anisotropic conductivity option.
Users Affected: Those using anisotropic conductivity
Version Fixed: 2003.0.15

3.3     CFD-ACE+ (GUI V2003.0.104, SOLVER V2003.0.13) – July 1, 2003
This release focused mainly on bug fixes and the major ones can be found below. They are split into two
sections (CFD-ACE-GUI and CFD-ACE-SOLVER).

3.3.1    Problems fixed in CFD-ACE-GUI

Number: 17353
Summary: Biochemical reaction step types not being written to DTF
Users Affected: V2003 users running biochemistry with reaction
Version Fixed: 2003.0.92


Number: 17598
Summary: In an existing model with ionization the mobility and diffusivity were not restored properly.
Users Affected: As described above
Version Fixed: 2003.0.91


Number: 17601
Summary: Spray with biochemistry was not backward compatible (V2002) because of inability to set
surface reaction on spray particles.
Users Affected: Those modeling surface reaction on spray particles with V2002
Version Fixed: 2003.0.92


Number: 17613
Summary: Large memory consumption was encountered with a GUI script.
Diagnosis: Was traced to leaving DTF files/simulations open. To remedy this, two new script functions,
GuiFILE.CloseCurrentSim() and GuiFILE.CloseAllSim() were added.
Users Affected: Those opening multiple DTF files and/or simulations in a single session
Version Fixed: 2003.0.92


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September 18, 2003                                                                                            22
CFD-ACE+ 2003 Release Notes



Number: 17639
Summary: If a mechanism in "Local" Folder has the same name as a mechanism in "Model" Folder, the
mechanism in "Model" Folder will not appear after the DTF file is loaded.
Users Affected: V2003 reaction manager users
Version Fixed: 2003.0.91


Number: 17664
Summary: No matter what you have set for a piecewise linear variation of a property in the database, the
GUI sets the number of points to three.
Users Affected: V2003 database users using piecewise linear option for any property
Version Fixed: 2003.0.91


Number: 17674
Summary: Surface tension method for liquid spray not written to DTF
Users Affected: V2003 users who require surface tension for spray properties
Version Fixed: 2003.0.91


Number: 17799
Summary: Picking on Axes when selecting/grouping VCs could cause a program crash.
Users Affected: V2003 CFD-ACE-GUI users
Version Fixed: 2003.0.96


Number: 17851
Summary: XCFD-ACE-GUI did not work on HP-UX 11.00. Missing symbols. This can be rectified by
installing STL libraries.
Users Affected: Those using B.11.00 HP
Version Fixed: No program fix made


Number: 17856
Summary: The "modified" flag was not set correctly while reading DTF file. That caused the GUI to ignore
all DTF data.
Users Affected: Those using Chemistry Database
Version Fixed: 2003.0.97


Number: 17875
Summary: If a V2002 DTF contains no Mixtures or Species, we still wrongly called DBM import function,
which caused a core dump.
Users Affected: Chemistry users using V2002 DTF, which contains no Species or Mixtures


D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                    23
CFD-ACE+ 2003 Release Notes


Version Fixed: 2003.0.98


Number: 17914
Summary: GUI corrupted mixture name and reaction names
Users Affected: Those using the Chemistry module
Version Fixed: 2003.0.101

3.3.2   Problems Fixed in CFD-ACE-SOLVER

Number: 17488
Summary: Anisotropic elliptical plate case gives different results than in V2002
Diagnosis: An error in new FEM coding was found. Surprisingly, this case worked properly on all but
Windows NT platforms (Windows 2000 worked properly).
Users Affected: Those using FEMStress
Version Fixed: 2003.0.9


Number: 17603
Summary: Restart with thin-wall failed
Diagnosis: Cases with thin walls and heat transfer may not restart smoothly and may create Nans
Users Affected: Those using thin walls, heat transfer and restart
Version Fixed: 2003.0.9


Number: 17619
Summary: A slight modification to an existing (V2002) spray problem failed
Diagnosis: The V2003 spray input was completely rewritten and an error affecting this case was
introduced. The solver was trying to access data that was not necessary for a 2D model.
Users Affected: Those using V2002 2D spray models loaded into V2003 GUI and saved
Version Fixed: 2003.0.9


Number: 16246
Summary: New solver over six times slower for problem involving VOF and Stress.
Diagnosis: This was related to implementation of new FEM solvers. Inefficiencies have been removed and
speed is now comparable to V2002.
Users Affected: Those who are performing transient FSI analyses
Version Fixed: 2003.0.12


Number: 17604
Summary: Core dump occurred with model using surface-to-surface radiation
Diagnosis: Code error was found in which attempt was made to access data that had been de-allocated.



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September 18, 2003                                                                                    24
CFD-ACE+ 2003 Release Notes


Users Affected: Those using the surface-to-surface radiation model
Version Fixed: 2003.0.10


Number: 17692
Summary: Biosensor tutorial fails with arithmetic exception on Linux only
Diagnosis: Divide by zero occurred on Linux due to a species molecular weight of zero. This calculation
was not needed for liquid chemistry and is now skipped.
Users Affected: Those using biochemistry and liquid chemistry on Linux and Dec may have experienced
this problem
Version Fixed: 2003.0.11


Number: 17721
Summary: Spray + magnetic case failed with error message about programming error. Case worked
previously with V2002.
Diagnosis: Error with new coding for V2003 caused this failure to occur
Users Affected: Those using transient spray + magnetic cases
Version Fixed: 2003.0.11


Number: 17760
Summary: Program dumped core when heat source was used to fix temperature for two-fluid, enthalpy-
based model.
Diagnosis: Error was found in the setting of the source terms
Users Affected: Those using heat sources with two-fluid enthalpy-based model
Version Fixed: 2003.0.11


Number: 17769
Summary: Program crash occurred with model using anisotropic solid conduction and fluid-solid
interfaces.
Diagnosis: Error was found and corrected
Users Affected: As above
Version Fixed: 2003.0.11


Number: 17770
Summary: User access routine get_parameter_value returned the wrong value for a user parameter.
Diagnosis: An error in the V2003 version of this routine was found and corrected
Users Affected: V2003 users of this routine through version 2003.0.11
Version Fixed: 2003.0.11


Number: 17786


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September 18, 2003                                                                                    25
CFD-ACE+ 2003 Release Notes


Summary: Simple Biochemistry Tutorial case hangs after starting.
Diagnosis: Change in name of variable in DTF file was made but not accounted for in solver. Proper
protection has been made.
Users Affected: V2002 biochemistry cases loaded into V2003 GUI and saved
Version Fixed: 2003.0.11


Number: 17790
Summary: Erroneous results with SS model for classic radiation case of two concentric cylinders.
Diagnosis: Solution was not converged so results were not meaningful. A warning message was added to
the heat transfer summary to indicate that convergence should be checked for those cases in which
imbalance is greater than 1% of total heat source.
Users Affected: Those solving heat transfer
Version Fixed: 2003.0.12


Number: 17819
Summary: A model solving scalar diffusion only failed
Diagnosis: For scalar problems without flow, the flow field information is not stored but the solver was
trying it anyway. This is now properly protected.
Users Affected: Those using scalar diffusion without flow
Version Fixed: 2003.0.11


Number: 17839
Summary: User requested graphical output of species diffusion coefficients but they were not written
Diagnosis: Output of species diffusion coefficient was provided only if species mass fractions were also
requested
Users Affected: As described above
Version Fixed: 2003.0.11


Number: 17850
Summary: Diffusion coefficient variable names in DTF file have units included in the name
Diagnosis: Yes. Units have been removed from the name strings
Users Affected: As above
Version Fixed: 2003.0.11


Number: 17855
Summary: Spray and Biochem cases crashed on Linux and Dec
Users Affected: Those using spray and biochem
Version Fixed: V2003-0-13



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September 18, 2003                                                                                         26
CFD-ACE+ 2003 Release Notes


Number: 17858
Summary: Case that had been converging diverged on restart
Diagnosis: There was a problem related to moving solid and restart
Users Affected: Those who are restarting with moving solid features
Version Fixed: 2002.0.11


Number: 17873
Summary: Access function getNumFaceNodes returned zero for faces on an arbitrary interface
Diagnosis: Error was found and corrected
Users Affected: Those using arbitrary interfaces. Spray cases with arbitrary interfaces could show this
problem.
Version Fixed: 2003.0.11


Number: 17880
Summary: Expression evaluator incorrectly evaluates .1*t but properly evaluates 0.1*t.
Diagnosis: An error was found in evaluating any expressions without a number before the decimal point
Users Affected: Any using expressions in input fields
Version Fixed: 2003.0.12


Number: 17883
Summary: Error message and program stop in spray case using arbitrary interface
Diagnosis: Another geometric access function was found to not work properly for arbitrary interfaces
(similar to 17873)
Users Affected: Those using arbitrary interfaces and spray
Version Fixed: 2003.0.11


Number: 17900
Summary: Mass flow summary was incorrect for liquid chemistry and biochemistry
Diagnosis: For liquid chemistry the species are solved as concentrations, not mass fractions. The mass
flow summary assumed mass fractions.
Users Affected: Any liquid chemistry or biochemistry users
Version Fixed: 2003.0.13


Number: 17833
Summary: Species flux printed output is wrong if inlet diffusion is off
Users Affected: Those using chemistry and inlet diffusion off
Version Fixed: 2003.0.13




D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                        27
CFD-ACE+ 2003 Release Notes


Number: 17863
Summary: Stress Contact Model give different results from Version 2002. Version 2002 results were
acceptable.
Diagnosis: In Version 2003 only one of the contact surfaces in a "pair" consisting of multiple surfaces
would actually be treated as a contact surface. This error has been corrected.
Users Affected: Stress users using the contact model with contact pairs containing multiple contact
surfaces
Version Fixed: 2003.0.13


Number: 17884
Summary: Solver would "hang" after first iteration
Diagnosis: This error occurred in the Stress module and was caused by the presence of an arbitrary
interface in the model (not in the solid structure though)
Users Affected: Those using FSI models with arbitrary interfaces
Version Fixed: 2003.0.13


Number: 17921
Summary: User subroutine was used to access species fluxes at a wall boundary but values obtained
were too small (~1e-29 when 1e-9 expected)
Diagnosis: Species flux arrays were not loaded with values for liquid chemistry. It has been properly
calculated and fixed. However, we have units related problem that will be fixed in a later version.
Users Affected: User sub and species flux
Version Fixed: 2003.0.13


Number: 17929
Summary: Moving solid case with heat transfer is not showing same temperatures as V2002
Diagnosis: Face velocities were not calculated correctly for fluid-solid interface
Users Affected: Those moving solid and heat
Version Fixed: 2003.0.13


Number: 17933
Summary: Deforming grid case in parallel does not run. Works OK in serial
Diagnosis: The tfi-pre-processor, a necessary component for moving grid, parallel models, was not
included in the software distribution.
Users Affected: Those moving grid and parallel
Version Fixed: Preprocessor will be added at release of version 2003.0.13


Number: 17937
Summary: User reported "bad" results for non-linear FEM model



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September 18, 2003                                                                                        28
CFD-ACE+ 2003 Release Notes


Analysis: User was looking at non-converged results. The user is running a non-linear problem with only
one iteration. modelname_FEM.RSL file shows the convergence of non linear fem iterations. There is one
more problem associated with it. Now at this point user tried to run linear problem by switching it to linear
in GUI. Solver was still running non-linear even though GUI shows it as linear. The reason is we are
reading non-linear options even though higher-level option says it is linear. We have fixed this problem in
the solver now.
Users Affected: Those who have run the problem first with non-linear and then switched to linear and
saved with same name
Version Fixed: 2003.0.13


Number: 17963
Summary: An arithmetic exception occurred when using the turbulence intensity boundary condition for K
with the SST turbulence model. When these boundary conditions were replaced with a constant value for
K a different program failure occurred.
Diagnosis: Errors were found and corrected in the calculation of turbulence quantities from boundary
values of turbulence intensity and the initial values of hydraulic diameter and length scale. Additionally,
another error was found and corrected which caused the second program failure mentioned above.
Users Affected: Those using turbulence intensity, length scale or hydraulic diameter for initial conditions
for SST model; Turbulence intensity option for boundary condition for the SST model; Any SST model in
axisymmetric domain.
Version Fixed: 2003.0.13


Number: 18025
Summary: Program failed when trying to restart from itself (from a solution saved in the DTF file). Solver
stopped with the message: Trying to close a file which has not been managed by the DTF file manager
File name = Sample.dtf
Diagnosis: This problem is related to winnt and restart. This is because winnt treats model.dtf and
model.DTF same but if you compare string inside code, they are different and we tried to close same dtf
file twice.
Uses Affected: Those who restart on winnt if the restart file is the same as the model.DTF but is entered
with lower case dtf.
Version Fixed: 2003.0.13

3.4     CFD-ACE+ (GUI V2003.0.90, SOLVER V2003.0.8) – May 29, 2003

•     All reported problems with degenerate grids have been fixed.
•     Several problems relating to Spray simulations in parallel have been fixed.
•     Several problems with the cfd-ace-mpi script have been corrected.
•     An error in calculation of the Von Mises stresses (in Stress models) has been corrected.

4. Backward Compatibility Issues
Certain differences between the Version 2003 programs and the Version 2002 software require that
Version 2002 models be converted to a new form. These conversions are noted below. The CFD-ACE-
GUI will automatically make these conversions for you or will provide instructions as to any manual
settings that might be required or will issue a warning message if any problem was encountered in the
conversion. These issues are not relevant to setting up a new problem with the Version 2003 software.

D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
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CFD-ACE+ 2003 Release Notes


•     If you run the programs from the command line, the executable programs have new names. The GUI
      is CFD-ACE-GUI (or CFD-ACE-GUI.exe) and the Solver is CFD-ACE-SOLVER (or CFD-ACE-
      SOLVER.exe). After installation you should check the default solver specified in the GUI (in
      Edit:Preferences:Tools) to be sure that CFD-ACE-SOLVER(.exe) is specified.
•     The Stress Module no longer supports second order shell elements as it has been found that first
      order elements with the new shear-locking formulation provide solutions as accurate as the old
      second order elements. Second order elements will be automatically converted to first order elements
      upon loading into the new software and a message will be provided indicating that the conversion has
      been performed.
•     Triangular shell elements (built from a single layer of prism elements) are no longer supported. Only
      quad shells are supported.
•     Shell elements require that the “thickness” direction be specified by selecting a surface normal to the
      thickness direction. A message indicating where that specification is to be made will be provided upon
      loading any model using shell elements into the new software.
•     The method of specifying the stress-strain curve for non-linear Stress analysis has changed. Upon
      loading any existing non-linear analysis problem the GUI will provide a message indicating where the
      new stress-strain relationship should be provided.
•     The ionization model that was previously supported in Liquid Chemistry has been moved to the
      Biochemistry option. The GUI will automatically convert existing models to the new form and will
      display a message to that effect.
•     Biochemistry models with surface reactions may not be converted to the new release properly. The
      GUI will provide a warning message if conversion is unsuccessful.
•     Electroplating models will not be converted to the new release properly. The GUI will provide a
      warning message for any existing electroplating model.
•     The CHEMKIN interface capability and surface chemistry solver has been replaced with a new
      CHEMKIN interpreter and the CFD-ACE+ surface chemistry solver. Three Surface CHEMKIN auxiliary
      information keywords, COV, ENRGDEP and YIELD, have not yet been incorporated at this release.
      Support for these keywords will be added in the near future.
•     As mentioned in the discussion of new Plasma module features, the under-relaxation practices for
      Plasma models have been changed in this release. Existing models that are run with this release
      should show different convergence behavior, typically converging in about half the number of
      iterations as previously.
•     Existing property and reaction databases will not be automatically converted. However, PMD, RMD
      and SMD files can be imported into the new database manager. Existing MMD files cannot be
      imported. If you need assistance with converting these files, please contact us.
•     GUI scripting at this release is not backward compatible.

5. Known Problems
These are the known problems with the latest release. Most or all of those problems will be corrected in a
future maintenance release.

5.1     ACE GUI Known Problems

•     Number: 15736 - Print statement in the user subroutine will halt the solver when submitted from GUI.
      Affects all users using subroutine with print statements or writes to standard out.
•     Number: 17803, 17876, 18166 - GUI can be very slow or appear to stop reading a file. These
      problems have occurred internally at CFDRC and it is believed they were caused by temporary
      network problems. All Database files in CFDRC folder are being accessed through the network.

D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                        30
CFD-ACE+ 2003 Release Notes


•     Number: 18092 - Certain DTF files are VERY slow to open. This file contains 5544 Boundaries, 856
      Volumes. Affects those with models with a very high volume (zone) count.
•     Number: 18183 - Wrong outline for VC in graphics window. Incorrect outline for volume in graphics
      window. This rare problem has only occurred once.
•     Number: 18388 - Resizing the help window causes it to not regenerate. Rare and machine, OS
      version and browser dependent problem.
•     Number: 18433 - Switching from general chemistry to bio leaves the old active species in the active
      analyte list. This will be fixed in V2004 but not in V2003 as it is a benign error. There will simply be
      some unnecessary information in the Active mixtures and species list. It affects those who switch
      between regular Chemistry and Biochemistry.
•     Number: 18546 - Copy and paste (ctrl-c + cntrl-v) doesn't work. If a widget was destroyed, ctrl-v will
      not work. This is a FOX Behavior. A workaround has been identified but not implemented.
•     Number: 18854 - Modified flag improperly set by database. In some cases, the database will set the
      modified flag even though no data were actually changed. Because this is a benign error, it will be
      corrected in V2004 but not in the V2003 version. It affects database users.
•     Number: 18875 - Copy species may not work properly. Will fix it after Apply is implemented

5.2     ACE Solver Known Problems

•     Number: 11983 - Convergence problem at near vacuum conditions. In low-pressure problems, it is
      usually necessary to use a very small lower limit on pressure and density. Otherwise, negative
      densities and pressures can occur and the solver stops. The limits usually allow convergence to be
      obtained but in one particular problem, convergence was still difficult to procure. A secondary
      problem, when convergence was obtained was the behavior of species diffusion in the very low-
      pressure regions. Diffusion coefficients were extremely large resulting in large, unphysical depositions.
•     Number: 13167 - Total pressure rise can occur across an arbitrary interface.
•     Number: 14141 - Unusual mesh produces non-physical flow solution. The mesh used has some
      severely skewed cells and a slight change to the mesh can cause the solver to produce correct
      solutions. This is the only case in which this behavior has been observed.
•     Number: 14720 - BEM solver does not produce same results as FVM solver. Several problems with
      the BEM solver have been reported (inaccurate results, large memory use, slow) and an alternative
      solver is being sought.
•     Number: 15375 - Incorrect Nusselt number prediction for turbulent heat transfer case using k-epsilon
      model. The predicted Nusselt number does not match well with the experimentally measured one
      (although there are some questions about just how the experimental number was calculated). This
      problem is under investigation.
•     Number: 15565 - In turbulent simulations the pressure field contains 2/3*rho*k term. As stated. This
      term is usually small but its inclusion in the pressure field has been noted by one user. Perhaps only
      proper documentation is necessary to close this report.
•     Number: 15760 - Poor convergence of FSI case results in negative volumes.
•     Number: 15879 - Parallel case shows poor convergence of pressure correction solver. In some cases
      a parallel run will show failure of the pressure correction solver to converge while a serial run does not
      show the problem. Investigations of the parallel solver implementation are under way.
•     Number: 15907 - FSI case gives negative volumes.
•     Number: 15941 - Fixed total pressure boundary condition fails to converge.




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CFD-ACE+ 2003 Release Notes


•   Number: 16624 - Creation of arbitrary interface failed. Arbitrary interface capability was used to rotate
    one domain inside a stationary domain. This succeeds for one-half a revolution (10 time steps) and
    then fails. Reversing the direction of arbitrary interface projection eliminated the problem.
•   Number: 17055 - Solver diverges when centerline cell has two cyclic faces.
•   Number: 17289 - Solver stops if user opens monitor point file using program that write-locks the file.
    Monitor point files are opened each time it is necessary to write to the file and then closed again. On
    Windows platforms, if the user opens the monitor point file with a program that write-locks the file,
    e.g., Excel, then the next open of the file by the solver will fail and the solver will stop.
•   Number: 17334 - Solver performance is poorer in parallel than serial. Solution of the pressure
    correction equation can degrade in parallel. In this case, the AMG solver converged fine in serial and
    with four processors but when eight processors were used it failed to converge at several flow solution
    iterations.
•   Number: 17456 - Negative volumes occurred in a coupled Stress and Electric problem.
•   Number: 17544 - Semi-device solver fails when compiled debug.
•   Number: 17682 - FSI problem generates negative volumes.
•   Number: 17701 - Semi-device solver goes out of array bounds when compiled debug.
•   Number: 17829 - Case failed on Linux (only) with error message that a boundary patch name did not
    match any boundary condition names in the DTF file. The .par file was transferred from a Windows
    machine and had trailing control-M's in each record.
•   Number: 17852 - Poor convergence of species transport.
•   Number: 17896 - Second order upwind for species transport gives negative concentration.
•   Number: 17942 - Parallel run fails on Windows system. Cause has not been found but this is the only
    system on which the error has occurred.
•   Number: 18085 - Calculation of Jcr_y for graphics output is incorrect. This occurs for one type of
    boundary condition and the error is only for the graphics output. Electric potential is calculated and
    output correctly.
•   Number: 18328 - Corrupt DTF file causes solver to crash.
•   Number: 18332 - Specified temperature volume condition causes non-physical results for chemistry
    case.
•   Number: 18442 - DOM radiation case shows good convergence but heat imbalance in the 3% range.
•   Number: 18473 - Different results from INTERNAL and INTERNALT for EPlate(S C Solutions) Test
    solver is generating better E-Plate results than V2003.
•   Number: 18544 - Non-physical results generated for turbulent flow on unstructured mesh: Domain has
    a large "thin" region with just a single cell across the thin direction (normal to flow direction).
    Convergence is not good and good results should probably not be expected.
•   Number: 18579 - Solver fails to read .DAT file for boundary condition. File has non-printing control
    characters. Probably due to improper file transfer between Windows and Unix.
•   Number: 18636 - Inconsistent results between grid motion and stress calculated displacements. This
    is a classic problem of using grid motion relaxation factor. After solver stress, we get displacements
    and we do not relax these, as it will affect the fem solution. We use these values to calculate grid
    motion and relax them with user specified factor. This makes grid movement inconsistent with fem
    displacements as shown in CFD-VIEW. The inconsistency will remain until convergence is obtained.
•   Number: 18644 - Flow solver fail after starting parallel run.
•   Number: 18665 - FSI case shows apparent convergence but mass imbalance.


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CFD-ACE+ 2003 Release Notes


•     Number: 18737 - Two-fluid turbulent case diverges.
•     Number: 18774 - Two-fluid case shows apparently good convergence but poor mass balance.
•     Number: 18780 - Customer needs changes made in electric module (U.S. Naval Academy)
•     Number: 18811 - In a low pressure case using Ideal Gas Law for density, pressures less than zero
      were obtained and nearly a million warning messages were generated. This is mostly a modeling
      issue, as setting a minimum pressure would have eliminated most of the warning messages. User
      should also use slip walls for this case. We should look at reducing the warning messages that were
      generated in this case and at setting a minimum pressure automatically. Affects users modeling low-
      pressure cases with density dependent upon pressure.
•     Number: 18823 - Incorrect BC Integral output.
•     Number: 18857 - Error message "/usr/bin/env: No such file or directory" does not provide much help in
      determining cause of problem (Python not installed).
•     Number: 18952 - Electrostatic/Coulombic force modeling for spray particles crashes when the particle
      charge model is specified to be "Field Charging" or "Cochet Charging".
•     Number: 19013 - mpich option does not work on HP-UX (PA-RISC and IA64). This is a documented
      behavior. We will hold this PR open to see if we can add a more graceful failure for those two
      platforms.
•     Number: 19034 - Incorrect electrostatic force calculation when model includes two adjacent dielectric
      materials with different relativity permittivity values.
•     Number: 19068 - No parallel speedup for VOF cases. A VOF case with 26972 cells is actually
      showing a performance degradation when run on tw processors instead of serial. Unfortunately,
      parallel works best on large cases (hundreds of thousands of cells). VOF cases are time-consuming
      because they are transient with many time steps.
•     Number: 19108 - Different results between V2003 and V2002 for Monte Carlo radiation.
•     Number: 19119 - Spray merge utility not working on HP-UX IA64.
•     Number: 19127 - Parallel case fails after second iteration. No message.
•     Number: 19180 - Output file has Control M characters.
•     Number: 19205 - Squeezing a Bottle and nothing is coming out. In FSI problem-moving structure had
      no effect on fluid. This was due to coupling frequency being set to a large number that meant that the
      forces due to structural deformation should have been transmitted to the fluid at the next time step.
      However, an error caused to grid motion to effectively get "lost". Temporary solution is to set the
      coupling frequency to something that will certainly be less than the terminal iteration. This will work
      properly.

5.3       ACE Miscellaneous Problems

•     Internal interfaces cannot currently be changed to other types (i.e. walls, inlets) in the GUI without
      receiving a solver error
•     Cannot run GUI scripting without Python (2.1.x) installed.
•     The VOF method does not necessarily conserve mass of the primary fluid.
•     Arbitrary Interface cases can display several problems:
      •    Arbitrary interfaces located within similar material can predict temperatures and pressures outside
           expected bounds.
      •    A non-physical total pressure rise has been predicted across an arbitrary interface (PR 13167)


D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
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CFD-ACE+ 2003 Release Notes


    •   Arbitrary interface cases in which the solver fails with the message “Cannot Form New Faces in
        form_face” can sometimes be corrected by reversing the projection direction in the GUI (PR
        16624)
    •   Arbitrary interface cases with multiple cells being projected into a single cell can fail to work
        properly.
•   Nodal solution values (used by CFD-VIEW) at parallel boundaries can be different for the same
    problem when run serial and parallel. This is an output issue and should not affect the solution values
    that are obtained at cell centers. However, two cases have been reported in which incorrect solution
    values were obtained at parallel interfaces (PRs 16100 and 16953)
•   CFD-ACE-SOLVER and CFD-VIEW can report different cell center values (comparing, say, monitor
    values obtained from the solver and point probe values obtained from View). This is because View
    works from nodal values that are interpolated by the solver from the cell-center solution values. From
    these nodal values, it is not possible for View to recover the original cell-center values.
•   When solving a grid deformation problem in parallel you must have your original, un-decomposed,
    grid and the decomposed grid in the same DTF file. If you load the decomposed grid into the GUI and
    do a Save As you will lose the original, un-decomposed, grid and the solver will fail.
•   The GUI can be quite slow to save models with a large number of chemical species or spray injectors.
•   If you perform a Save As with a Filament model, the filament information will be lost. You will have to
    use CFD-Toolkit to re-specify the Filament information. (PR 14099)
•   It is not possible to export liquid/gas/solid or Mixing Rule property information from the GUI to the
    database. (PR 17336)
•   Very low pressures (near zero) can cause problems with species diffusion coefficients using the multi-
    component diffusion option. (PR 11983)
•   BC integral output may not be labeled properly. (PR 15870)
•   Solver diverges when a centerline cell shares two cyclic faces. (PR 17055)
•   The solver stops if the user opens a monitor point file using an external program that write-locks the
    file. (PR 17289)
•   Convergence of pressure correction equation can deteriorate as the number of processors is
    increased in parallel. (PR 17334)
•   The solver can fail if the DTF utility is used to perform an Update (-ud) or View Data (-vd) operation on
    the DTF file while the solver is running. (PR 17513)




D:\Software Documentation\ACE 2003\ACE Release Notes 2003\ace.V2003.doc
September 18, 2003                                                                                          34

				
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