Cluster Information

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# Gaussian09
# Gaussian09
# WebMO and configuration [v9.1] - Gamess, Gaussian, Mopac, Tinker
# WebMO and configuration [v9.1] - Gamess, Gaussian, Mopac, Tinker
-
# [[Bobsced Infiniband | Infiniband and configuration]]
+
# Infiniband and configuration
# GNU toolchain with OpenMPI and MPICH [GCC v4.4.0], [OpenMPI v1.3.2] [MPICH v1.2.7p1]
# GNU toolchain with OpenMPI and MPICH [GCC v4.4.0], [OpenMPI v1.3.2] [MPICH v1.2.7p1]
# Intel toolchain with OpenMPI and native libraries
# Intel toolchain with OpenMPI and native libraries

Revision as of 22:58, 17 October 2009

Contents

Current To-Do

Date represents last meeting where we discussed the item

 * 2 y-axis scales (runtime and problem size)
 * error bars for left and right y-axes with checkboxes for each
 * eps file for the poster
 Board Criteria:
 * mini itx form factor
 * at least 2 core (probably max 2 core)
 * 2 GB ram
 * Cuda Enabled (with chip on board); OpenCL O.K. too
 * How many node boot up as dhcp servers?  (answer:  just the first one, confirmed 10/13)
 * Liberation testing -- Charlie, Gus, Sam, Aaron -- moved to Tuesday, 10/20 @ 2:30p
 * Send flight info to Jeff Krause -- Charlie
 * Talk to Travel-On -- Brad and Charlie
 * Take exact same set of runs on Sooner
 * EC -- next Wednesday (10/21)
 * SCEd -- Combine TeraGrid and Fitz posters

Summer of Fun (2009)

An external doc for GalaxSee
Documentation for OpenSim GalaxSee

What's in the database?

GalaxSee (MPI) area-under-curve (MPI, openmpi) area-under-curve (Hybrid, openmpi)
acl0-5 bs0-5 GigE bs0-5 IB acl0-5 bs0-5 GigE bs0-5 IB acl0-5 bs0-5 GigE bs0-5 IB
np X-XX 2-20 2-48 2-48 2-12 2-48 2-48 2-20 2-48 2-48

What works so far? B = builds, R = runs, W = works

B-builds, R-runs area under curve GalaxSee (standalone)
Serial MPI OpenMP Hybrid Serial MPI OpenMP Hybrid
acls BRW BRW BRW BRW BRW
bobsced0 BRW BRW BRW BRW BRW
c13 BRW
pople
Charlie's laptop BRW

To Do

Implementations of area under the curve

GalaxSee Goals

GalaxSee - scale to petascale with MPI and OpenMP hybrid.

LittleFe

Notes from May 21, 2009 Review

BobSCEd Upgrade

Build a new image for BobSCEd:

  1. One of the Suse versions supported for Gaussian09 on EM64T [v11.1] - Red Hat Enterprise Linux 5.3; SuSE Linux 9.3, 10.3, 11.1; or SuSE Linux Enterprise 10 (see G09 platform list) <-- CentOS 5.3 runs Gaussian binaries for RHEL ok
  2. Firmware update?
  3. C3 tools and configuration [v4.0.1]
  4. Ganglia and configuration [v3.1.2]
  5. PBS and configuration [v2.3.16]
  6. /cluster/bobsced local to bs0
  7. /cluster/... passed-through to compute nodes
  8. Large local scratch space on each node
  9. Gaussian09
  10. WebMO and configuration [v9.1] - Gamess, Gaussian, Mopac, Tinker
  11. Infiniband and configuration
  12. GNU toolchain with OpenMPI and MPICH [GCC v4.4.0], [OpenMPI v1.3.2] [MPICH v1.2.7p1]
  13. Intel toolchain with OpenMPI and native libraries
  14. Sage with do-dads (see Charlie)
  15. Systemimager for the client nodes?

Installed:

Fix the broken nodes.

(Old) To Do

BCCD Liberation

Curriculum Modules

LittleFe

Infrastructure

SC Education

Current Projects

Past Projects

General Stuff

Items Particular to a Specific Cluster

Curriculum Modules

Possible Future Projects

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