Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								08dfff3ce4 
								
							
								 
							
						 
						
							
							
								
								* Modifications for building armci-mpi on the Wahab's install location.  
							
							 
							
							
 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								8cf081b4b1 
								
							
								 
							
						 
						
							
							
								
								*  Copied armci-mpi build script from ODU container repo.  
							
							 
							
							... 
							
							
 
							
							This is taken from commit #dd7cf94ecdb1c1368fed2458c4f45bd95e1a140c
   from ODU container repo. No changes were made at all. 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								b97592a8c7 
								
							
								 
							
						 
						
							
							
								
								* Copied "build04" nwchem build script from ODU container repo.  
							
							 
							
							... 
							
							
 
							
							This is taken from commit #a278c9cb246fc267f93018e607856c1141942d32
  from ODU container repo. No changes were made at all. 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								d68c1cc608 
								
							
								 
							
						 
						
							
							
								
								* Wahab: Imported comsol-51, last modified 2021-02-11 to accommodate  
							
							 
							
							... 
							
							
 
							
							launching from another SLURM job (e.g. OOD virtual desktop interface). 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								0331ea6ed3 
								
							
								 
							
						 
						
							
							
								
								* Committed: Original user-invocable "qe-<VERSION>" from Wahab.  
							
							 
							
							... 
							
							
 
							
							Signatures:
    # -rwxr-xr-x 1 wpurwant users 520 2020-03-10 14:39:05 qe-6.3
    # -rwxr-xr-x 1 wpurwant users 514 2020-03-10 14:29:54 qe-6.4
    # -rwxr-xr-x 1 wpurwant users 531 2020-03-10 14:28:29 qe-6.4-intel
    # bda38c3efc9bb0f83db351924e06da43  qe-6.3
    # 2b2e9ec9c641dd60206776a5a80c75a3  qe-6.4
    # 083455403fa47897c4d6e7ce6d591f9a  qe-6.4-intel
    # 8d29ad9caa756b55747e58a06c39aa59576a896b  qe-6.3
    # 1443cdb47e4340be1106d4e80ba3dc47717d9ca1  qe-6.4
    # 1bf39ffc828cdc784658ea510fbda0602d34e237  qe-6.4-intel 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								e9597af157 
								
							
								 
							
						 
						
							
							
								
								* Minor typographical improvements.  
							
							 
							
							
 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								dda0e1b7ad 
								
							
								 
							
						 
						
							
							
								
								* ARCHIVE: Imported some tools from my stats work back in 2016.  
							
							 
							
							... 
							
							
 
							
							Warning: These tools are obsolete, and may or may not work.
  Orig-cwd: TURING:/home/wpurwant/hpc-explore/turing-hw/tests20160826
  Sigs:
    # -rwx------ 1 wpurwant users 214 2016-09-13 11:58:21 show-disabled-nodes2.awk
    # -rwx------ 1 wpurwant users 111 2016-08-26 13:10:14 show-disabled-nodes.sh
    # -rwx------ 1 wpurwant users 122 2016-08-26 10:25:16 show-node-summary.sh
    # -rwx------ 1 wpurwant users 153 2016-08-26 12:06:25 show-non-full-nodes.sh
    # 71c64a7e6cd9df34ca6a9348ebc44ab1  show-disabled-nodes.sh
    # 8a3570829d132c526cc44adf72212887  show-disabled-nodes2.awk
    # ebbc0642cd29a1575670c86629d89c72  show-node-summary.sh
    # 5eee777a8380333654d3a06e3482f38e  show-non-full-nodes.sh
    # dfb36573c6d758bc675f70247ff0befe9ddbe365  show-disabled-nodes.sh
    # d1995fc91d402c9dcc30adc0b461e2beaa25ab67  show-disabled-nodes2.awk
    # 3267d169b476396d66f6127e1343bd7c23b37e1f  show-node-summary.sh
    # 18673a78914d9cce47c95d4fd5146805fc227416  show-non-full-nodes.sh 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								9429ad3697 
								
							
								 
							
						 
						
							
							
								
								* Added capability to parse & create scratch dirs.  
							
							 
							
							
 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								7dc03821a8 
								
							
								 
							
						 
						
							
							
								
								* g09slurm initial update: correctly parse nprocshared / nproc in link0  
							
							 
							
							... 
							
							
 
							
							command in a case-insensitive manner. 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								
								Min Dong 
							
						 
						
							 
							
							
							
								
							
								19eacfbf54 
								
							
								 
							
						 
						
							
							
								
								* Committed: Original user-invocable "g09slurm" from Wahab  
							
							 
							
							... 
							
							
 
							
							and the "g09.slurm" backend script.
  Signatures:
    # -rwxr-xr-x 1 wpurwant users  394 2020-09-10 01:06:20 g09.slurm
    # -rwxr-xr-x 1 wpurwant users 1120 2019-09-16 15:24:20 g09slurm
    # 387f828b04454678b23b05af61e4f334  g09.slurm
    # 9ee4bfcfad766165a81239cb13d7ef30  g09slurm
    # e0dbc8b24aeecbbecf7255a3e3f84dc3fc3a422f  g09.slurm
    # d5a33e554766c41f17f6839242c5c7f4d60e7fe4  g09slurm
  g09.slurm is originally located at
  /cm/shared/apps/gaussian/g09revD.01/script/g09/script/g09.slurm 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								19c833c3ff 
								
							
								 
							
						 
						
							
							
								
								* sinfo-report-node-stats.sh: Simple tool to report status of compute  
							
							 
							
							... 
							
							
 
							
							nodes based on SLURM's "sinfo" output. 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								18d79dd34b 
								
							
								 
							
						 
						
							
							
								
								* On custom sacct1.sh, include job (most recent) state as well.  
							
							 
							
							
 
							
						 
						
							5 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								d384d0320d 
								
							
								 
							
						 
						
							
							
								
								* Added explicitly headless option (--headless).  
							
							 
							
							... 
							
							
 
							
							* Increased wait time to 5 minutes. 
							
						 
						
							6 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								c2a5ae8863 
								
							
								 
							
						 
						
							
							
								
								* slurm: Modified fields to print by default.  
							
							 
							
							
 
							
						 
						
							6 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								32b82db7a3 
								
							
								 
							
						 
						
							
							
								
								* slurm: Added custom sacct wrapper script which contains my preferences.  
							
							 
							
							
 
							
						 
						
							6 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								db2ca075ed 
								
							
								 
							
						 
						
							
							
								
								* Must re-add SLURM if it is not loaded.  
							
							 
							
							
 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								a65338a8bf 
								
							
								 
							
						 
						
							
							
								
								* Added "wgo" (what's going on) to check the status of processes  
							
							 
							
							... 
							
							
 
							
							on login node. Currently supposed to be used for Turing only. 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								1387997010 
								
							
								 
							
						 
						
							
							
								
								* Prints an error message and quit in case Jupyter  
							
							 
							
							... 
							
							
 
							
							did not start after 2 minutes. 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								ba6c9f53ed 
								
							
								 
							
						 
						
							
							
								
								* Added accommodation for Anaconda as well as site-provided python.  
							
							 
							
							... 
							
							
 
							
							* Added support for fully headless mode (connect via local browser).
* Added some safeguards against job failing to start due to executable
  not found, etc. 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								1c8a5da492 
								
							
								 
							
						 
						
							
							
								
								* Imported launch_jupyter from Turing.  
							
							 
							
							... 
							
							
 
							
							Originally furnished by Min Dong, 2019-03-01 14:30 EST. 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								28eb7a0d98 
								
							
								 
							
						 
						
							
							
								
								* sq: Customizable squeue wrapper: introduce new defaults / default  
							
							 
							
							... 
							
							
 
							
							behavior on squeue. 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								94e0aa9490 
								
							
								 
							
						 
						
							
							
								
								* jupyter-anaconda2: A script that will start Jupyter notebook process  
							
							 
							
							... 
							
							
 
							
							for Anaconda2 distribution.
  Note: for now it is a script that has to be submitted in the compute
  node. I will upgrade this to become a self-submitting script eventually. 
							
						 
						
							7 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								95034685ff 
								
							
								 
							
						 
						
							
							
								
								* interact: Tool to allocate an interactive session on a regular  
							
							 
							
							... 
							
							
 
							
							compute node under SLURM. 
							
						 
						
							8 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								dbce662c5a 
								
							
								 
							
						 
						
							
							
								
								* interact-gpu: Tool to allocate an interactive session on a GPU  
							
							 
							
							... 
							
							
 
							
							compute node under SLURM. 
							
						 
						
							8 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								82ea3bc689 
								
							
								 
							
						 
						
							
							
								
								* Archived: SGE version of pwscf-5.3 script.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								9c82c4d465 
								
							
								 
							
						 
						
							
							
								
								* Update bash module support: with recent changes on Turing,  
							
							 
							
							... 
							
							
 
							
							'module' seems to be supported out of the box for bash.
  If 'module' environment is detected, we skip the initiation step. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								68c0e70d4d 
								
							
								 
							
						 
						
							
							
								
								* Added "regular" runsas which runs with more limited memory.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								27b8ccd6ae 
								
							
								 
							
						 
						
							
							
								
								* Added runsas-himem from earlier consultation this year.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								df6facce86 
								
							
								 
							
						 
						
							
							
								
								* pwscf: Ad-hoc fix for Turing after 2016 upgrade.  
							
							 
							
							... 
							
							
 
							
							We force using the old (TCL) module system since the new module
  system (LMOD) always executes itself whenever a bash batch script
  is executed on Turing right now. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								739d765f53 
								
							
								 
							
						 
						
							
							
								
								* Added convenience for gathering & analyzing CPUs on the cluster.  
							
							 
							
							... 
							
							
 
							
							* Documentation update. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								aa597b907c 
								
							
								 
							
						 
						
							
							
								
								* In hoststats subcommand: Also print node status flags if they exist.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								999fe5f571 
								
							
								 
							
						 
						
							
							
								
								* Add more info to gather.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								cabacb58cb 
								
							
								 
							
						 
						
							
							
								
								* Also added dump for mount points and disk free for compute nodes.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								b6d22cf68b 
								
							
								 
							
						 
						
							
							
								
								* Added "hoststats" subcommand for summarizing host occupancy statistics  
							
							 
							
							... 
							
							
 
							
							irrespective of queue. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								ebdc93e80f 
								
							
								 
							
						 
						
							
							
								
								* Also collect dmesg snapshot.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								879927f16e 
								
							
								 
							
						 
						
							
							
								
								* Added python workbench hpl_timing, for estimating/analyzing HPL timing.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								d6d71364de 
								
							
								 
							
						 
						
							
							
								
								* Imported initial tools for extracting HPL benchmark results.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								483c6874c0 
								
							
								 
							
						 
						
							
							
								
								* Use getopt to handle command-line option.  
							
							 
							
							... 
							
							
 
							
							* Include a help command. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								67bc899f4a 
								
							
								 
							
						 
						
							
							
								
								* Fixes for unhandled/unrecognized command options.  
							
							 
							
							... 
							
							
 
							
							* Documentation update.
* Added help command. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								850bd34377 
								
							
								 
							
						 
						
							
							
								
								* Documentation update.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								e382a5eb35 
								
							
								 
							
						 
						
							
							
								
								* Minor fix to strip domain name (can be truncated).  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								f06803ba6c 
								
							
								 
							
						 
						
							
							
								
								* show-node-status.py: A toolbox to analyze node status returned by SGE.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								acfb11e010 
								
							
								 
							
						 
						
							
							
								
								* Initial form of documentation.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								04515dcd35 
								
							
								 
							
						 
						
							
							
								
								* Allow external qstat-f file for raw node status dump.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								7957b28a05 
								
							
								 
							
						 
						
							
							
								
								* show-node-status.py: Initial tool to replace node-slot-status.sh.  
							
							 
							
							... 
							
							
 
							
							This initial edition contains only "--raw" command. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								34a7659f3d 
								
							
								 
							
						 
						
							
							
								
								* show-cluster-usage.py: A tool to summarize the usage of an  
							
							 
							
							... 
							
							
 
							
							SGE cluster at a given snapshot in time.
  At present the usage is broken down by the user;
  other categories can be added in the future. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								4f28615bf0 
								
							
								 
							
						 
						
							
							
								
								* Added variants of node status to display (still work in progress).  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								a0ad7c25bc 
								
							
								 
							
						 
						
							
							
								
								* Added analysis tool to summarize CPUs or group compute nodes based  
							
							 
							
							... 
							
							
 
							
							on their CPUs. 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								52619c3688 
								
							
								 
							
						 
						
							
							
								
								* Added tools to dump compute node info in batch.  
							
							 
							
							
 
							
						 
						
							9 years ago  
						
					 
				
					
						
							
							
								 
								Wirawan Purwanto
							
						 
						
							 
							
							
							
								
							
								f1327c9562 
								
							
								 
							
						 
						
							
							
								
								* SGE: Added qconf dump tools.  
							
							 
							
							... 
							
							
 
							
							Added from my hpc-explore/sge tools from late 2015 time frame. 
							
						 
						
							9 years ago