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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES A community modeling environment: geodynamic integration of multi-scale geoscience data Mian Liu 1, Huai Zhang 1,2, Youqing Yang 1, Qingsong Li 1, Yaolin Shi 2 1-University of Missouri-Columbia 2-Computational Geodynamic Lab, CAS, China

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Motivation 1: Exponentially increase of multi-scale observational data that need to be integrated and interpreted within a self- consistent geodynamic framework

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES EarthScope Instruments

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES EarthScope Annual Data Volume Data volumes over next 10 years GPS: ~7.7 TB BSM/LSM: ~10.5 TB Seismic: ~120 TB

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Multi-timescales of geoscience data

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Motivation 2: Advance of computer hardware (especially PC clusters and grid computers) and software engineering have provided unprecedented computing power; Data infrastructure have made integrating multiscale data both easy and necessary.

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES So we built the data cyberinfrastructures, now what? Interne t Data Grid Physical model HPCC GEON

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Interne t Data Grid Physical model HPCC Free scientists from coding to do science, or whatever they do best

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Earth Simulator-GeoFEM project Geoframwork QuakeSim SCEC Community Modeling Environment CIG (Computational Infrastructure for Geodynamics ) Some current efforts on geodynamic computations

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES More than one way to do it … Develop specific type of models (e.g., mantle convection); Use plug-in modules in a general system to generate specific type of models (wave, fluid, structure, etc.)

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Multi-Purpose/Multi-physics Parallel FE Simulator/Platform for Solid Earth Different finite element model can be plugged into this system Example: Earth Simulator- GeoFEM project

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Won’t it be nice if we can have a general, flexible community modeling system? Not all geological needs can fit into the pigeonholes; Need integration with data CI; Scalable for parallel and grid computation Wouldn’t it be nice if all (or most of) these can be automated?

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Examples of commercial FE code generation systems PED2D (http://members.aol.com/pde2d)http://members.aol.com/pde2d FEPG (Finite Element Program Generator) (http://www.fegensoft.com/english/index.htm)http://www.fegensoft.com/english/index.htm

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES The devil is in the details … PDE2FEM system FEM meshes generator Geometric modeling of real application Graph partition (Metis4.0, Pmetis3.0) and Data partition GES,PDE,CDE, SDE etc. element subroutine generators GCN, NFE etc. nonlinear algorithms generators Libs for PDEs, shape functions and other software packages Theoretical and application documents for users Server-Client communication system PFEPG Server administration tools Common Gateway Interface via www browsers for users User level communication protocol MPI Data structure and optimization Dynamic load-balancing of each node in parallel computer Sequential solvers Krylov subspace iterative solvers and preconditioners Blas,blacs,pblas, splib,fepglib, AZsolv, MUMPS Arpack, SuperLU LMDDM and LMDDA algorithm kernel subroutines

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES disp u v coor x y func funa funb func shap %1 %2 gaus %3 mass %1 load = fu fv $c6 pe = prmt(1) $c6 pv = prmt(2) $c6 fu = prmt(3) $c6 fv = prmt(4) $c6 fact = pe/(1.+pv)/(1.-2.*pv) func funa=+[u/x] funb=+[v/y] func=+[u/y]+[v/x] stif dist = +[funa;funa]*fact*(1.-pv) +[funa;funb]*fact*(pv) +[funb;funa]*fact*(pv) +[funb;funb]*fact*(1.-pv) +[func;func]*fact*(0.5-pv) *es,em,ef,Estifn,Estifv, *es(k,k),em(k),ef(k),Estifn(k,k),Estifv(kk), goto (1,2), ityp 1 call seuq4g2(r,coef,prmt,es,em,ec,ef,ne) goto 3 2 call seugl2g2(r,coef,prmt,es,em,ec,ef,ne) goto 3 3 continue DO J=1,NMATE PRMT(J) = EMATE((IMATE-1)*NMATE+J) End do PRMT(NMATE+1)=TIME PRMT(NMATE+2)=DT prmt(nmate+3)=imate prmt(nmate+4)=num Other element matrix computing Subs PDE expression Contains information of the physical model, such as variables and equations for generating element stiffness matrix. Fortran Segments codes that realize the physical model at element level. variables equation Automated Code Generator Step 1: From PDE expression to Fortran segments Segment 1 Segment 2 Segment 3 Segment 4

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Step 2: From algorithm expression to Fortran segments do i=1,k do j=1,k estifn(i,j)=0.0 end do do i=1,k estifn(i,i)=estifn(i,i) do j=1,k estifn(i,j)=estifn(i,j)+es(i,j) end do U(IDGF,NODI)=U(IDGF,NODI) *+ef(i) defi stif S mass M load F type e mdty l step 0 equation matrix = [S] FORC=[F] SOLUTION U write(s,unod) U end Algorithm Expression Contains information for forming global stiffness matrix for the model. Fortran Segments codes that realize the physical model at global level. Stiffness matrix Segment 5 Segment 6

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES SUBROUTINE ETSUB(KNODE,KDGOF,IT,KCOOR,KELEM,K,KK, *NUMEL,ITYP,NCOOR,NUM,TIME,DT,NODVAR,COOR,NODE, #SUBET.sub *U) implicit double precision (a-h,o-z) DIMENSION NODVAR(KDGOF,KNODE),COOR(KCOOR,KNODE), *U(KDGOF,KNODE),EMATE(300), #SUBDIM.sub *R(500),PRMT(500),COEF(500),LM(500) #SUBFORT.sub #ELEM.sub C WRITE(*,*) 'ES EM EF =' C WRITE(*,18) (EF(I),I=1,K) #MATRIX.sub L=0 M=0 I=0 DO 700 INOD=1,NNE ……… U(IDGF,NODI)=U(IDGF,NODI) #LVL.sub DO 500 JNOD=1,NNE ……… 500 CONTINUE 700 CONTINUE ……… return end Program StencilFortran Segments generated Step 3: Plug Fortran segments into a stencil, forming final FE program Segment 1 Segment 2 Segment 4 Segment 3 Segment 5 Segment 6 …………..

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Examples Western US tectonics Deformation of Asian continent Stress evolution and strain localization in the San Andreas Fault

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES A Preliminary Finite Element Model of Active Crustal Deformation in the Western US

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES The Power of GEON Cluster Node Original series model (single CPU) Less than 3000 elements Three layers in R-direction 2 min for per time step Preliminary parallel model (16- nodes, 32 CPUs) More than 800,000 unstructured elements Major Faults and more deformation zones Subduction of Juan de Fuca slab 21 layers in R-direction (x 40vertical topographic exaggeration)

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Automatic domain decomposition for parallel computing

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES The model now allows simulation of large scale continental deformation with unprecedented detail

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES The model now allows simulation of large scale continental deformation with unprecedented detail

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Ongoing Effort:Toward a new 3D model of continental deformation in Asia Ongoing Effort: Toward a new 3D model of continental deformation in Asia

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Predicted vertical velocity

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Predicted surface shear stress

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Loading the San Andreas Fault by relative PA-NA motion Fully 3D Dynamic Plastic-viscoelastic Co-seismic/interseismic cycles from seconds to 10 4 years Parallel computing on PC clusters

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Comparison of predicted surface velocity and GPS data

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Predicted maximum shear stress

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Predicted rate of plastic strain energy release outside the SAF

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Dream on… Integrating the community modeling environment with the geoscience data cyberinfrastructure; Grid computation and data integration; Automated (optimized?) work flow management (the Kepler system?)

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Automatic source code generator func funa=+[u/x] ……… funf=+[u/y]+[v/x] ……… dist =+[funa;funa]*d(1,1)+[funa;funb]*d(1,2)+[funa;func]*d(1,3) +[funb;funa]*d(2,1)+[funb;funb]*d(2,2)+[funb;func]*d(2,3) +[func;funa]*d(3,1)+[func;funb]*d(3,2)+[func;func]*d(3,3) +[fund;fund]*d(4,4)+[fune;fune]*d(5,5)+[funf;funf]*d(6,6) load = +[u]*fu+[v]*fv+[w]*fw-[funa]*f(1)-[funb]*f(2)-[func]*f(3) -[fund]*f(4)-[fune]*f(5)-[funf]*f(6) PDEs Complete source code FEM Modeling Language Data Grid (GEON and others) Physical model Model results HPCC Data =>??? SWF

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CYBERINFRASTRUCTURE FOR THE GEOSCIENCES Thank you!

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