Seawulf Cluster Assessment

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Revision as of 15:03, 18 October 2016 by Dmcgee (talk | contribs) (Programs/Installed)
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Programs/Software Needed

  • csh
  • python 2.7
  1. numpy
  2. matplotlib
  3. scipy
  • X-11 Forwarding
  • gs (ghostscript)
  • wget

Programs/Installed

  • DOCK
  Compiled successfully with  gcc (Dwight M.)
  Having issues with the intel compilers
  • AMBER
 Cannot be installed using its default configure script  Reason: csh is not installed
 I commented out the check for "csh" and it compiled fine
 Parallel version is not scaling well across multiple nodes (check inifiniband) (compiled with gcc 4.9.2) openmpi 1.10.2 
  • Moe 2012
 when I try to execute ./moebatch I get the following error:
  /gpfs/home/tmcgee/local/moe2012/bin-lnux/moebatch: error while loading shared libraries: libgcc_s.so.1: wrong ELF class: ELFCLASS64
  • Format vs-protocol
 N/A