Difference between revisions of "Seawulf Cluster Assessment"
From Rizzo_Lab
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==Programs/Software Needed== | ==Programs/Software Needed== | ||
| − | *csh | + | *csh --solved |
| − | *python 2.7 | + | *python 2.7 (create a module/ tkinter still in progress) |
#numpy | #numpy | ||
#matplotlib | #matplotlib | ||
| + | #tkinter | ||
#scipy | #scipy | ||
*X-11 Forwarding | *X-11 Forwarding | ||
*gs (ghostscript) | *gs (ghostscript) | ||
| + | *wget | ||
| + | *gnuplot | ||
| + | *grace | ||
==Programs/Installed== | ==Programs/Installed== | ||
*DOCK | *DOCK | ||
| − | + | Compiled successfully with gcc (Dwight M.) | |
| + | Having issues with the intel compilers | ||
*AMBER | *AMBER | ||
| − | Cannot be installed | + | 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 | *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 | *Format vs-protocol | ||
| − | N | + | 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 | ||
Latest revision as of 15:09, 19 October 2016
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
