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