Seawulf Cluster Assessment
From Rizzo_Lab
Programs/Software Needed
- csh --solved
- python 2.7 (create a module/ tkinter still in progress)
- numpy
- matplotlib
- tkinter
- 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