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65 Commits (5c0b51602692dfedc37188ba6a4fc1f319634b21)
 

Author SHA1 Message Date
Wirawan Purwanto 5c0b516026 * First attempt to fix lmod "module" for ipython ("fix1")
3 years ago
Wirawan Purwanto 7c02045fa1 * Saved the original lmod_python.py and
3 years ago
Wirawan Purwanto 9edb1e040d * Imported tools to dump information about files in a container.
4 years ago
Wirawan Purwanto e828a16a49 * Expanded support to Wahab.
4 years ago
Wirawan Purwanto cc95430e06 * Added lmod module for OPENIB-based nwchem installation on Wahab.
4 years ago
Wirawan Purwanto f9d350aa7c * Added make-based install procedure for nwchem 7.0.0.
4 years ago
Wirawan Purwanto 9e7c5b3312 * Modularize & tidied up the nwbuild05 script.
4 years ago
Wirawan Purwanto b3f1877f73 * Initial version of nwchem "build05": Using "OPENIB" backend.
4 years ago
Wirawan Purwanto 67c05e7efd * Added small build notes for nwchem on Wahab.
4 years ago
Wirawan Purwanto 08dfff3ce4 * Modifications for building armci-mpi on the Wahab's install location.
4 years ago
Wirawan Purwanto 8cf081b4b1 * Copied armci-mpi build script from ODU container repo.
4 years ago
Wirawan Purwanto b97592a8c7 * Copied "build04" nwchem build script from ODU container repo.
4 years ago
Wirawan Purwanto d68c1cc608 * Wahab: Imported comsol-51, last modified 2021-02-11 to accommodate
4 years ago
Wirawan Purwanto 0331ea6ed3 * Committed: Original user-invocable "qe-<VERSION>" from Wahab.
4 years ago
Wirawan Purwanto e9597af157 * Minor typographical improvements.
4 years ago
Wirawan Purwanto dda0e1b7ad * ARCHIVE: Imported some tools from my stats work back in 2016.
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
4 years ago
Min Dong 19eacfbf54 * Committed: Original user-invocable "g09slurm" from Wahab
4 years ago
Wirawan Purwanto 19c833c3ff * sinfo-report-node-stats.sh: Simple tool to report status of compute
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).
5 years ago
Wirawan Purwanto c2a5ae8863 * slurm: Modified fields to print by default.
5 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.
6 years ago
Wirawan Purwanto a65338a8bf * Added "wgo" (what's going on) to check the status of processes
6 years ago
Wirawan Purwanto 1387997010 * Prints an error message and quit in case Jupyter
6 years ago
Wirawan Purwanto ba6c9f53ed * Added accommodation for Anaconda as well as site-provided python.
6 years ago
Wirawan Purwanto 1c8a5da492 * Imported launch_jupyter from Turing.
6 years ago
Wirawan Purwanto 28eb7a0d98 * sq: Customizable squeue wrapper: introduce new defaults / default
7 years ago
Wirawan Purwanto 94e0aa9490 * jupyter-anaconda2: A script that will start Jupyter notebook process
7 years ago
Wirawan Purwanto 95034685ff * interact: Tool to allocate an interactive session on a regular
7 years ago
Wirawan Purwanto dbce662c5a * interact-gpu: Tool to allocate an interactive session on a GPU
7 years ago
Wirawan Purwanto 82ea3bc689 * Archived: SGE version of pwscf-5.3 script.
8 years ago
Wirawan Purwanto 9c82c4d465 * Update bash module support: with recent changes on Turing,
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.
8 years ago
Wirawan Purwanto 739d765f53 * Added convenience for gathering & analyzing CPUs on the cluster.
8 years ago
Wirawan Purwanto aa597b907c * In hoststats subcommand: Also print node status flags if they exist.
8 years ago
Wirawan Purwanto 999fe5f571 * Add more info to gather.
8 years ago
Wirawan Purwanto cabacb58cb * Also added dump for mount points and disk free for compute nodes.
8 years ago
Wirawan Purwanto b6d22cf68b * Added "hoststats" subcommand for summarizing host occupancy statistics
8 years ago
Wirawan Purwanto ebdc93e80f * Also collect dmesg snapshot.
8 years ago
Wirawan Purwanto 879927f16e * Added python workbench hpl_timing, for estimating/analyzing HPL timing.
8 years ago
Wirawan Purwanto d6d71364de * Imported initial tools for extracting HPL benchmark results.
8 years ago
Wirawan Purwanto 483c6874c0 * Use getopt to handle command-line option.
8 years ago
Wirawan Purwanto 67bc899f4a * Fixes for unhandled/unrecognized command options.
8 years ago
Wirawan Purwanto 850bd34377 * Documentation update.
8 years ago
Wirawan Purwanto e382a5eb35 * Minor fix to strip domain name (can be truncated).
8 years ago