The AASPI Software Computational Environment Tim Kwiatkowski Welcome Consortium Members December 9,

Hardware Clusters Multiprocessor / Multi-core Software Computational Environment Compilers Libraries Graphics Software Design Directory Layout The Future Overview 2

Hardware Clusters The AASPI Software was originally designed to run on U**X/Linux clusters using MPI (Message Passing Interface). Large Granularity No need for expensive interconnects. Gigabit Ethernet is sufficient. Depending on the size of the cluster, can be difficult to administer. 3

Hardware Multiprocessor / Multi-core Newer multi-core processors have become available Currently no explicit multi-threading. MPI using “Loopback” Communication Simpler to administer Can be grown into a cluster 4

Hardware Our Current Resources Older Resources diamond - Sun Enterprise 450 fluorite- Dual CPU 2.4GHz Xeon 5.2 TB storage (offline) Newer Resources Opal – Dual Quad-core 3.0GHz Xeon 16 GB, 15 TB storage Ruby – Quad Quad-core 1.6 GHz Xeon 32 GB, 11 TB storage Jade – Dual Quad-core 2.8 GHz Xeon 48 GB, 5 TB storage Hematite – Dual Quad-core 3.46 GHz Xeon 48 GB, 5 TB storage Tripolite – Dual Six-core 3.46 GHz Xeon 48 GB, 5 TB storage Corundum – Dual Quad-core 2.33GHz Xeon 32 GB, 10 TB -file server 22 Windows XP/Windows 7 64bit PC/Workstations. 5

Tape Reading Ability Our Current Resources Older Resources 8mm Exabyte DLT-8000 IBM 3590B Newer Resources LTO-4 6

Hardware Our Current Resources – Cluster Resources OSCER ( Oklahoma Supercomputing Center for Education & Research ) As a whole: 536 User Accessible Nodes, 8800 GB aggregate RAM, 100TB Usable Fast scratch storage, GFlop peak, GFlop sustained. Our own dedicated OSCER nodes / storage Dual Quad core (3 ea GHz, 3ea GHz) 16GB RAM Storage node - Dual Quad core 2.33GHz, 16GB RAM, 18TB disk storage. Muntu 1 management node, 1 head node, 14 compute nodes. Each node: 3.06 GHz Dual processor, 4GB RAM. Total disk storage: ~2TB 7

Hardware Recommendations What type of hardware do I need to run the AASPI software? The short answer: It depends. Entry level suggestion: Dual socket with Dual, Quad or Six-core CPU 2.5GHz+ 2GB /core >2 TB disk capacity 8

Software Environment − OS Operating System As shipped, we have chosen to pre-compile the AASPI software. This should work on most Redhat 4 Release 4 and higher installations. Some needed packages blas, lapack, libf2c, bzip2-libs,zlib, X11 packages for running the GUI, Mesa-libGL, Mesa-libGLU 9

Software Environment − 64 vs. 32 bit The majority of the AASPI code has been converted over to the aaspi_io framework which is compatible with the SEP files. SEPLib limited us to 32 bit code. We are still compiling most of our code as 32bit, but we have begun to release both 32bit and 64bit compiled binaries. Certain codes like the SOM code require more memory, 32bit codes are limited to 2 GB per process. However, we are still using SEP utilities for display. 10

Software Environment − Compilers We have chosen to pre-compile the AASPI software to make your life easier. However, IF you are compiling on your own… Required: A good Fortran90 compiler such as the Portland Group Fortran compiler or the Intel Fortran 90/95 compiler. We use the Intel Fortran compiler. Required: A good C/C++ compiler. GCC is fine. Required: Patience! Most of the compiling issues come from the 3 rd party packages! 11

Software Environment − Libraries The software depends on several external libraries: Seismic Unix ( Center for Wave Phenomena - Colorado School of Mines ) SEPlib ( Stanford Exploration Project ) SEPlib utilities are primarily used for display – most of the AASPI code no longer requires SEPlib (or SU) SEG-Y import/export uses aaspi_io and does not require SU or SEPlib. OpenMPI (We have used MPICH in the past) FFTW ( mostly Version 2 at the present time migrating to version 3 ) Lapack & BLAS ( The Intel Math Kernel Library could be used as a substitute ) The FOX Toolkit (GUI interface and seismic data display) 12

Software Environment − Graphics Now we have a GUI interface. Based on the FOX Toolkit. For Linux this means X-Windows based. How do we use it? Some Solutions Use a desktop Linux workstation. Use a Mac ThinAnywhere VNC Hummingbird Exceed Xming Cygwin 13

Software Design Practices/Goals Use modern programming languages Fortran 90/95 C/C++ Modular Design Maximize code re-use Use Fortran 90/95 modules/interfaces Use C++ classes/template programming Libraries Organize processes/functions into logical, reusable libraries 14

Software Layout AASPIbinbin64ext_libext_rpmext_srcincludeinclude64liblib64mansrcscripts Precompiled binaries – 32bit Non-AASPI package compiled libraries Non-AASPI RPMS Non-AASPI packages - source AASPI include files (along with others) AASPI man pages AASPI source code Scripts – program wrappers and utilities AASPI libraries & other shared libraries 15 Precompiled binaries – 64bit AASPI include files (64 bit Fortran module files) AASPI libraries – 64bit

The Future Replacing the rest of the SEPlib dependencies – We hope do develop some display tools of our own as we move away from the SEP framework. At this point, we have most of our code converted to our own API. However, we are still shaking out some of the bugs introduced by the conversion. MS Windows? – Perhaps… All of our core code should be multiplatform. MPI is available on Windows platforms via cluster services. 16

Future Computing GPU Research -- Still on our Radar We are experimenting with the newest generation of equipment – GPUs (Graphics Processing Units) We were working with CUDA (Compute Unified Device Architecture from nVidia). OpenCL looks like a more promising road for code portability. The software development target for GPU processing will be the desktop PC most likely as plug-ins for Petrel. However, OSCER does have a GPU cluster which we have not tested. Certain codes may lend themselves more naturally to GPU processing than others. 17

AASPI Software Computational Environment Tim Kwiatkowski Thank You! Questions? 18