Transcript EU Meeting, Greece, June 2001

Cactus:
A Framework for Numerical Relativity
Gabrielle Allen
Max Planck Institute for Gravitational Physics,
(Albert Einstein Institute)
What is Cactus?
CACTUS is a freely available, modular,
portable and manageable environment
for collaboratively developing parallel, highperformance multi-dimensional simulations
Cactus
remote steering
Plug-In “Thorns”
(modules)
extensible APIs
ANSI C
parameters
driver
scheduling
Core “Flesh”
input/output
error handling
interpolation
SOR solver
Fortran/C/C++
equations of state
black holes
make system
grid variables
wave evolvers
multigrid
boundary conditions
coordinates
Cactus in a Nutshell





Cactus acts a the “main” routine of your code, it takes care of e.g.
parallelism, IO, checkpointing, parameter file parsing for you (if you
want), and provides different computational infrastructure such as
reduction operators, interpolators, coordinates, elliptic solvers, …
Everything Cactus “does” is contained in thorns (modules), which you
need to compile-in. If you need to use interpolation, you need to
find and add a thorn which does interpolation.
It is very extensible, you can add you own interpolators, IO
methods etc.
Not all the computational infrastructure you need is necessarily
there, but hopefully all of the APIs etc are there to allow you to
add anything which is missing.
We’re trying to provide a easy-to-use environment for collaborative,
high-performance computing, from easy compilation on any machine,
to easy visualization of your output data.
Modularity:
“Plug-and-play” Executables
Computational Thorns
Numerical Relativity Thorns
PUGH
PAGH
ADMConstraint IDAxiBrillBH
Carpet
HLL
PsiKadelia
Zorro
CartGrid3D
Cartoon2D
AHFinder
Extract
Time
Boundary
Maximal
ADM
EllSOR
EllBase
SimpleExcision
ADM_BSSN
IOFlexIO
IOASCII
FishEye
ConfHyp
IOHDF5
IOJpeg
IDAnalyticBH
BAM_Elliptic
IOUtil
IOBasic
LegoExcision
IDLinearWaves
HTTPD
HTTPDExtra
TGRPETSc
IDBrillWaves
ISCO with AMR ??
FasterISCO
elliptic
Runsolver
ISCO??
with Excision
Einstein Toolkit: CactusEinstein
Infrastructure:
ADMBase, StaticConformal,
SpaceMask, ADMCoupling,
ADMMacros, CoordGauge
Initial Data:
IDSimple, IDAnalyticBH,
IDAxiBrillBH, IDBrillData,
IDLinearWaves
Evolution:
ADM, EvolSimple, Maximal
Analysis:
ADMConstraints, ADMAnalysis,
Extract, AHFinder,
TimeGeodesic, PsiKadelia,
IOAHFinderHDF
Other thorns available from
other groups/individuals
E.g. a few from AEI …
Excision
LegoExcision, SimpleExcision
AEIThorns
ADM_BSSN, BAM_Elliptic,
BAM_VecLap
PerturbedBH
DistortedBHIVP,
IDAxiOddBrillBH,
RotatingDBHIVP
Computational Toolkit
CactusBase
Boundary, IOUtil, IOBasic,
CartGrid3D, IOASCII, Time
CactusIO
IOJpeg
CactusConnect
CactusExternal
CactusElliptic
CactusUtils
HTTPD, HTTPDExtra
EllBase, EllPETSc, EllSOR
CactusPUGH
PUGH, PUGHInterp, PUGHSlab,
PUGHReduce
CactusPUGHIO
IOFlexIO, IOHDF5Util,
IOHDF5, IOStreamedHDF5,
IsoSurfacer, IOPanda
FlexIO, jpeg6b
NaNChecker
Computational Toolkit (2)
CactusBench
BenchADM
CactusTest
TestArrays, TestComplex,
TestCoordinates, TestInclude1,
TestInclude2, TestInterp,
TestReduce, TestStrings,
TestTimers
CactusWave
IDScalarWave, IDScalarWaveC,
IDScalarWaveCXX,
WaveBinarySource, WaveToyC,
WaveToyCXX, WaveToyF77,
WaveToyF90, WaveToyFreeF90
CactusExamples
HelloWorld, WaveToy1DF77,
WaveToy2DF77, FleshInfo,
TimerInfo
What Numerical Relativists Need From Their
Software …
Primarily, it should enable the physics they want to do, and
that means it must be:






Collaborative
Portable
Large scale !
High throughput
Easy to understand
and interpret results
Supported and
developed






Produce believed
results
Flexible
Reproducible
Have generic
computational toolkits
Incorporate other
packages/technologies
Easy to use/program
Large Scale

Typical run (but we want bigger!) needs 45GB
of memory:



Typical run makes 3000 iterations with 6000
Flops per grid point:




256 MB
(320 GB for 10GF every 50 time steps)
One simulation takes longer than queue times

Need 10-50 hours
Computing time is a valuable resource


Parallelism
Optimization
600 TeraFlops !!
Output of just one Grid Function at just one
time step


171 Grid Functions
400x400x200 grid
Requirements
One simulation: 2500 to 12500 SUs
Need to make each simulation count
Parallel/Fast IO,
Data Management,
Visualization
Checkpointing
Interactive
monitoring, steering,
visualization, portals
Produce Believable Results

Continually test with known/validated solutions





Open community:




Code changes
Using new thorns
Different machines
Different numbers of processors
The more people using your code, the better tested it will be
Open Source … not black boxes
Source code validates physical results which anyone can
reproduce
Diverse applications:


Modular structure helps construct generic thorns for Black
Holes, Neutron Stars, Waves, …
Other applications, …
Portability






Develop and run on many different
architectures
(laptop, workstations, supercomputers)
Set up and get going quickly
(new computer, visits, new job, wherever
you get SUs)
Use/Buy the most economical resource
(e.g. our new supercomputer)
Make immediate use of free (friendly
user) resources
(baldur, loslobos, tscini, posic)
Tools and infrastructure also important
Portability crucial for “Grid Computing”
RECENT GROUP
RESOURCES
Origin 2000 (NCSA)
Linux Cluster (NCSA)
Compaq Alpha (PSC)
Linux Cluster (AHPCC)
Origin 2000 (AEI)
Hitachi SR-8000 (LRZ)
IBM SP2 (NERSC)
Institute Workstations
Linux Laptops
Ed’s Mac
Very different
architectures, operating
systems, compilers and
MPI implementations
Easy to Use and Program









Program in favorite language (C,C++,F90,F77)
Hidden parallelism
Computational Toolkits
Good error, warning, info reporting
Modularity !! Transparent interfaces with other modules
Extensive parameter checking
Work in the same way on different machines
Interface with favorite visualization package
Documentation
Cactus User Community
Using and Developing Physics Thorns
Numerical Relativity
AEI
Southampton
Goddard
Tuebingen
Wash U
Penn State
TAC
EU Astrophysics
Network
Other Applications
RIKEN
Thessaloniki
SISSA
Chemical Engineering
(U.Kansas)
Portsmouth
Climate Modeling
(NASA,+)
NASA Neutron Star
Grand Challenge
Many others
who mail us at
cactusmaint
Bio-Informatics
(Canada)
Geophysics
(Stanford)
Plasma Physics
(Princeton)
Early Universe
(LBL)
Astrophysics
(Zeus)
Using Cactus
program YourCode
call
call
call
call
ReadParameterFile
SetUpCoordSystem
SetUpInitialData
OutputInitialData
do it=1,niterations
call EvolveMyData
call AnalyseData
call OutputData
end do
end
If your existing code has this
kind of structure
 Split into subroutines
 Clear argument lists
it should be relatively
straightforward to put into
Cactus.
Cactus will take care of the
parameter file, and (hopefully)
the coord system and IO, and
if you’re lucky you can take
someone else’s Analysis,
Evolution, Initial Data, …
modules.
Thorn Architecture
Main question: best way to divide up into thorns?
Thorn EvolveMyData
Parameter Files
and Test Suites
????
????
Configuration Files
Source Code
Fortran
Routines
Documentation!
C
Routines
C++
Routines
Make
Information
ADMConstraints: interface.ccl
# Interface definition for thorn ADMConstraints
implements: admconstraints
inherits: ADMBase, StaticConformal, SpaceMask, grid
USES INCLUDE: CalcTmunu.inc
USES INCLUDE: CalcTmunu_temps.inc
USES INCLUDE: CalcTmunu_rfr.inc
private:
real hamiltonian type=GF
{ ham } "Hamiltonian constraint"
real momentum type=GF
{ momx, momy, momz } "Momentum constraints"
ADMConstraints: schedule.ccl
schedule ADMConstraints_ParamCheck at CCTK_PARAMCHECK
{LANG: C}
"Check that we can deal with this metric_type and have enough
conformal derivatives"
schedule ADMConstraint_InitSymBound at CCTK_BASEGRID
{LANG: Fortran}
"Register GF symmetries for ADM Constraints"
schedule ADMConstraints at CCTK_ANALYSIS
{
LANG: Fortran
STORAGE: hamiltonian,momentum
TRIGGERS: hamiltonian,momentum
} "Evaluate ADM constraints"
ADMConstraints: param.ccl
# Parameter definitions for thorn ADMConstraints
shares: ADMBase
USES KEYWORD metric_type
shares: StaticConformal
USES KEYWORD conformal_storage
private:
BOOLEAN constraints_persist "Keep storage of ham and mom* around
for use in special tricks?"
{} "no"
BOOLEAN constraint_communication "If yes sychronise constraints"
{} "no"
KEYWORD bound "Which boundary condition to apply"
{
"flat" :: "Flat (copy) boundary condition"
"static" :: "Static (don't do anything) boundary condition"
} "flat"
ADMConstraints: Using it
MyRun.par:
ActiveThorns = “ … … ADMConstraints … …”
IOASCII::out3d_every = 10
IOASCII::out3d_vars = “ … ADMConstraints::hamiltonian…”
What do you get with Cactus?







Parameters: file parser, parameter ranges and checking
Configurable make system
Parallelization: communications, reductions, IO, etc.
Checkpointing: checkpoint/restore on different
machines, processor numbers
IO: different, highly configurable IO methods (ASCII,
HDF5, FlexIO, JPG) in 1D/2D/3D + geometrical objects
AMR when it is ready
(PAGH/Carpet/FTT/Paramesh/Chomba)
New computational technologies as they arrive, e.g.




New machines
Grid computing
I/O
Use our CVS server
Myths

If you’re not sure just ask:


Cactus doesn’t have periodic boundary conditions


Of course not!
Cactus gives different results on different numbers of processors


You shouldn’t need to do this! Please tell us.
If you use Cactus you have to let everyone have and use your code


Cactus can run on anything with a ANSI C compiler (e.g. Windows, Mac,
PlayStation2). Need MPI for parallelisation, F90 for many of our numrel
thorns.
To compile Cactus you need to edit this file, tweak that file,
comment out these lines, etc, etc


It has always had periodic boundary conditions.
Cactus doesn’t run on a **?** machine


email [email protected], [email protected]
It shouldn’t, check your code!!
Cactus makes your computers explode
Cactus Support





Users Guide, Thorn Guides on web pages
FAQ
Pages for different architectures, configuration details for
different machines.
Web pages describing different viz tools etc.
Different mailing lists (interface on web pages) …




[email protected]
or [email protected]
or [email protected]
or [email protected]
Cactus (Infrastructure) Team at AEI

General :


GridLab:


Thomas Radke, Annabelle Roentgen, Ralf Kaehler
PhD Students:


Tom Goodale, Ian Kelley, Oliver Wehrens, Michael Russell, Jason
Novotny, Kashif Rasul, Susana Calica, Kelly Davis
GriKSL:


Gabrielle Allen, David Rideout
Thomas Dramlitsch (Distributed Computing), Gerd Lanfermann
(Grid Computing), Werner Benger (Visualization)
Extended Family:

John Shalf, Mark Miller, Greg Daues, Malcolm Tobias, Erik
Schnetter, Jonathan Thornburg, Ruxandra Bonderescu
Development Plans

See


Currently working on 4.0 Beta 12 (release end of May)




www.cactuscode.org/Development/Current.html
New Einstein thorns
New IO thorns, standardize all IO parameters
Release of Cactus 4.0 planned for July (2002)
We then want to add (4.1):





Support for unstructured meshes (plasma physics)
Support for multi-model (climate modeling)
Dynamic scheduler
Cactus Communication Infrastructure
Better elliptic solvers/infrastructure
Cactus Developer Community
Developing Computational Infrastructure
AEI Cactus
Group
Argonne
National
Laboratory
Grants and Projects
The Users
NCSA
Konrad-Zuse
Zentrum
Global
Grid
Forum
U. Chicago
EGrid
Compaq
Sun
Microsoft
SGI
Clemson
DFN TiKSL
TAC
U. Kansas
Wash U
Lawrence
Berkeley
Laboratory
Intel
DFN GriKSL
EU GridLab
NSF KDI ASC
NSF GrADS
Direct Benefits
Visualization
Parallel I/O
Remote Computing
Portal
Optimization
Experts
Other Development Projects









AMR/FMR
Grid Portal
Grid Computing
Visualization (inc. AMR Viz)
Parallel I/O
Data description and management
Generic optimization
Unstructured meshes
Multi-model
What is the Grid? …
… infrastructure enabling the
integrated, collaborative use of
high-end computers, networks,
databases, and scientific
instruments owned and managed
by multiple organizations …
… applications often
involve large amounts of
data and/or computing,
secure resource sharing
across organizational
boundaries, not easily
handled by today’s
Internet and Web
infrastructures …
… and Why Bother With It?


AEI Numerical Relativity Group has access to high-end resources in
over ten centers in Europe/USA
They want:





How to make best use of these resources?





Easier use of these resources
Bigger simulations, more simulations and faster throughput
Intuitive IO and analysis at local workstation
No new systems/techniques to master!!
Provide easier access … no one can remember ten usernames, passwords,
batch systems, file systems, … great start!!!
Combine resources for larger productions runs (more resolution badly
needed!)
Dynamic scenarios … automatically use what is available
Better working practises: Remote/collaborative visualization, steering,
monitoring
Many other motivations for Grid computing ... Opens up possibilities
for a whole new way of thinking about applications and the
environment that they live in (seti@home, terascale desktops, etc)
Remote Monitoring/Steering:






Thorn which allows simulation to
any to act as its own web server
Connect to simulation from any
browser anywhere … collaborate
Monitor run: parameters, basic
visualization, ...
Change steerable parameters
Running example at
www.CactusCode.org
Wireless remote viz, monitoring
and steering
VizLauncher


From a web browser connected to the simulation, output
data (remote files/streamed data) automatically
launched into appropriate local visualization client
Application specific networks … shift vector fields,
apparent horizons, particle geodesics, …
Cactus ASC Portal

Part of NSF KDI Project
Astrophysics
Simulation
Collaboratory


Use any Web Browser !!
Portal (will) provides:





Single access to all
resources
Locate/build executables
Central/collaborative
parameter files, thorn lists
etc
Job submission/tracking
Access to new Grid
Technologies
www.ascportal.org
Remote Visualization
OpenDX
OpenDX
Amira
IsoSurfaces
and
Geodesics
Contour plots
(download)
LCA Vision
Grid
Functions
Streaming
HDF5
Amira
Remote Offline Visualization
Viz in
Berlin
Viz Client (Amira)
HDF5 VFD
DataGrid (Globus)
DPSS
HTTP
Downsampling,
hyperslabs
Only
what is
needed
DPSS
Server
4TB at
NCSA
FTP
Visualization
Client
FTP
Server
Web
Server
Remote
Data
Server
Dynamic Adaptive Distributed Computation
(T.Dramlitsch, with Argonne/U.Chicago)
GigE:100MB/sec
17
4
2
OC-12 line
12
5
2
12
(But only 2.5MB/sec)
SDSC IBM SP
1024 procs
5x12x17 =1020
5
NCSA Origin Array
256+128+128
5x12x(4+2+2) =480
These experiments:
 Einstein Equations (but could be
any Cactus application)
Achieved:
 First runs: 15% scaling
 With new techniques: 70-85%
scaling, ~ 250GF
Dynamic Adaptation: Number
of ghostzones, compression, …
Paper describing this is a
finalist for the
“Gordon Bell Prize”
(Supercomputing 2001, Denver)
SDSC
Dynamic Grid Computing
Add more
resources
Free CPUs!!
Queue time over,
find new machine
RZG
LRZ
Archive data
Clone job with
steered parameter
SDSC
Calculate/Output
Physicist has new idea !
Invariants
S
Found a horizon,
try out excision
Brill Wave
S1
Calculate/Output
Grav. Waves
Look for
horizon
S2
P1
P2
Find best
resources
S1
P1
NCSA
Archive to LIGO
public database
S2
P2
Users View
GridLab:
Enabling Dynamic Grid Applications




EU Project (under final
negotiation with EC)
AEI, ZIB, PSNC, Lecce, Athens,
Cardiff, Amsterdam, SZTAKI,
Brno, ISI, Argonne, Wisconsin,
Sun, Compaq
Grid Application Toolkit
for application developers
and infrastructure
(APIs/Tools)
Develop new grid scenarios
for 2 main apps:
 Numerical relativity
 Grav wave data analysis
www.gridlab.org
GriKSL
www.griksl.org
Development of Grid Based Simulation and Visualization Tools



German DFN Funded
AEI and ZIB
Follow-on to TiKSL



Grid awareness of
applications
Description/manageme
nt of large scale
distributed data sets
Tools for remote and
distributed data
visualization