cc95430e06
* Added lmod module for OPENIB-based nwchem installation on Wahab.
4 years ago
f9d350aa7c
* Added make-based install procedure for nwchem 7.0.0.
4 years ago
9e7c5b3312
* Modularize & tidied up the nwbuild05 script.
4 years ago
b3f1877f73
* Initial version of nwchem "build05": Using "OPENIB" backend.
4 years ago
67c05e7efd
* Added small build notes for nwchem on Wahab.
4 years ago
08dfff3ce4
* Modifications for building armci-mpi on the Wahab's install location.
4 years ago
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.
4 years ago
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.
4 years ago
d68c1cc608
* Wahab: Imported comsol-51, last modified 2021-02-11 to accommodate
...
launching from another SLURM job (e.g. OOD virtual desktop interface).
4 years ago
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
e9597af157
* Minor typographical improvements.
4 years ago
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
4 years ago
9429ad3697
* Added capability to parse & create scratch dirs.
4 years ago
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
19c833c3ff
* sinfo-report-node-stats.sh: Simple tool to report status of compute
...
nodes based on SLURM's "sinfo" output.
5 years ago
18d79dd34b
* On custom sacct1.sh, include job (most recent) state as well.
5 years ago
d384d0320d
* Added explicitly headless option (--headless).
...
* Increased wait time to 5 minutes.
5 years ago
c2a5ae8863
* slurm: Modified fields to print by default.
5 years ago
32b82db7a3
* slurm: Added custom sacct wrapper script which contains my preferences.
6 years ago
db2ca075ed
* Must re-add SLURM if it is not loaded.
6 years ago
a65338a8bf
* Added "wgo" (what's going on) to check the status of processes
...
on login node. Currently supposed to be used for Turing only.
6 years ago
1387997010
* Prints an error message and quit in case Jupyter
...
did not start after 2 minutes.
6 years ago
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
1c8a5da492
* Imported launch_jupyter from Turing.
...
Originally furnished by Min Dong, 2019-03-01 14:30 EST.
6 years ago
28eb7a0d98
* sq: Customizable squeue wrapper: introduce new defaults / default
...
behavior on squeue.
7 years ago
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
95034685ff
* interact: Tool to allocate an interactive session on a regular
...
compute node under SLURM.
7 years ago
dbce662c5a
* interact-gpu: Tool to allocate an interactive session on a GPU
...
compute node under SLURM.
7 years ago
82ea3bc689
* Archived: SGE version of pwscf-5.3 script.
8 years ago
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.
8 years ago
68c0e70d4d
* Added "regular" runsas which runs with more limited memory.
8 years ago
27b8ccd6ae
* Added runsas-himem from earlier consultation this year.
8 years ago
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
739d765f53
* Added convenience for gathering & analyzing CPUs on the cluster.
...
* Documentation update.
8 years ago
aa597b907c
* In hoststats subcommand: Also print node status flags if they exist.
8 years ago
999fe5f571
* Add more info to gather.
8 years ago
cabacb58cb
* Also added dump for mount points and disk free for compute nodes.
8 years ago
b6d22cf68b
* Added "hoststats" subcommand for summarizing host occupancy statistics
...
irrespective of queue.
8 years ago
ebdc93e80f
* Also collect dmesg snapshot.
8 years ago
879927f16e
* Added python workbench hpl_timing, for estimating/analyzing HPL timing.
8 years ago
d6d71364de
* Imported initial tools for extracting HPL benchmark results.
8 years ago
483c6874c0
* Use getopt to handle command-line option.
...
* Include a help command.
8 years ago
67bc899f4a
* Fixes for unhandled/unrecognized command options.
...
* Documentation update.
* Added help command.
8 years ago
850bd34377
* Documentation update.
8 years ago
e382a5eb35
* Minor fix to strip domain name (can be truncated).
8 years ago
f06803ba6c
* show-node-status.py: A toolbox to analyze node status returned by SGE.
8 years ago
acfb11e010
* Initial form of documentation.
8 years ago
04515dcd35
* Allow external qstat-f file for raw node status dump.
8 years ago
7957b28a05
* show-node-status.py: Initial tool to replace node-slot-status.sh.
...
This initial edition contains only "--raw" command.
8 years ago
Wirawan Purwanto
Min Dong