WP-hpc-tools

Author	SHA1	Message	Date
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	4 years ago
Wirawan Purwanto	e9597af157	* Minor typographical improvements.	4 years ago
Wirawan Purwanto	9429ad3697	* Added capability to parse & create scratch dirs.	4 years ago
Wirawan Purwanto	7dc03821a8	* g09slurm initial update: correctly parse nprocshared / nproc in link0 command in a case-insensitive manner.	4 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	4 years ago
Wirawan Purwanto	d384d0320d	* Added explicitly headless option (--headless). * Increased wait time to 5 minutes.	5 years ago
Wirawan Purwanto	db2ca075ed	* Must re-add SLURM if it is not loaded.	6 years ago
Wirawan Purwanto	1387997010	* Prints an error message and quit in case Jupyter did not start after 2 minutes.	6 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.	6 years ago
Wirawan Purwanto	1c8a5da492	* Imported launch_jupyter from Turing. Originally furnished by Min Dong, 2019-03-01 14:30 EST.	6 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.	6 years ago
Wirawan Purwanto	82ea3bc689	* Archived: SGE version of pwscf-5.3 script.	8 years ago
Wirawan Purwanto	68c0e70d4d	* Added "regular" runsas which runs with more limited memory.	8 years ago
Wirawan Purwanto	27b8ccd6ae	* Added runsas-himem from earlier consultation this year.	8 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.	8 years ago
Wirawan Purwanto	8ae0841ca6	* pwscf: Initial version of self-submitting script to launch pwscf calculation (version 5.3).	8 years ago

16 Commits (4a1b5d0a69cd9fe5334d44ec69315325f46a7a4f)