Seawulf Cluster Assessment

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Programs/Software Needed

  • csh --solved
  • python 2.7 (create a module/ tkinter still in progress)
  1. numpy
  2. matplotlib
  3. tkinter
  4. scipy
  • X-11 Forwarding
  • gs (ghostscript)
  • wget
  • gnuplot
  • grace

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
  It could be the result of a 64 bit lib instead of 32 bit lib possibly
  • Format vs-protocol
 Jiaye: I was trying to submit a job to the queue using the following header:
     #!/bin/bash
     #PBS -l walltime=4:00:00
     #PBS -I -l nodes=1:ppn=24
     #PBS -N fully-act-wt
     #PBS -V
     #PBS -q short
 I got this error msg: 
     id: cannot find name for group ID 108645329