wirawan0/WP-hpc-tools
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19 Commits

Author SHA1 Message Date
Wirawan Purwanto
d384d0320d * Added explicitly headless option (--headless). 
* Increased wait time to 5 minutes.
 2020-01-17 13:58:59 -05:00
Wirawan Purwanto
db2ca075ed * Must re-add SLURM if it is not loaded. 2019-04-25 17:35:34 -04:00
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.
 2019-04-25 17:34:23 -04:00
Wirawan Purwanto
1387997010 * Prints an error message and quit in case Jupyter 
did not start after 2 minutes.
 2019-03-27 13:49:19 -04:00
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.
 2019-03-27 13:28:33 -04:00
Wirawan Purwanto
1c8a5da492 * Imported launch_jupyter from Turing. 
Originally furnished by Min Dong, 2019-03-01 14:30 EST.
 2019-03-27 11:25:32 -04:00
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.
 2018-07-20 09:19:59 -04:00
Wirawan Purwanto
95034685ff * interact: Tool to allocate an interactive session on a regular 
compute node under SLURM.
 2018-06-01 12:50:56 -04:00
Wirawan Purwanto
dbce662c5a * interact-gpu: Tool to allocate an interactive session on a GPU 
compute node under SLURM.
 2018-06-01 12:49:31 -04:00
Wirawan Purwanto
82ea3bc689 * Archived: SGE version of pwscf-5.3 script. 2017-05-24 14:37:32 -04:00
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.
 2017-05-24 14:28:24 -04:00
Wirawan Purwanto
68c0e70d4d * Added "regular" runsas which runs with more limited memory. 2016-11-10 12:48:43 -05:00
Wirawan Purwanto
27b8ccd6ae * Added runsas-himem from earlier consultation this year. 2016-11-10 12:45:29 -05:00
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.
 2016-11-07 11:57:34 -05:00
Wirawan Purwanto
879927f16e * Added python workbench hpl_timing, for estimating/analyzing HPL timing. 2016-09-20 17:46:19 -04:00
Wirawan Purwanto
d6d71364de * Imported initial tools for extracting HPL benchmark results. 2016-09-20 17:44:39 -04:00
Wirawan Purwanto
79e5b77df2 * bash-module-env.sh: Update was required due to incomplete pre-existing 
MODULEPATH in some of Turing's compute nodes.
 2016-08-23 13:55:51 -04:00
Wirawan Purwanto
6f0880c547 * bash-module-env.sh: an effort to facilitate bash support for batch 
scripts.

  Last modified date of this script: 2016-06-23.
 2016-08-23 13:45:21 -04:00
Wirawan Purwanto
8ae0841ca6 * pwscf: Initial version of self-submitting script to launch pwscf 
calculation (version 5.3).
 2016-07-08 23:33:51 -04:00