- 05 Nov, 2024 5 commits
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Alexander Rosenberg authored
- added setup section - moved SSH port forwarding after the example job script - Replaced pointer to Jupyter Notebooks with a sentence on interactive jobs.
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Alexander Rosenberg authored
- adjusted headings - enclosed storage notes in a note box - changed <> to {} to workaround an encoding bug - added explanation of `sbatch` and `srun`
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Alexander Rosenberg authored
- manually sort the software guides for now to effectively pin the environment modules and virtual environment guides to the top
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Alexander Rosenberg authored
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Alexander Rosenberg authored
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- 04 Nov, 2024 1 commit
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Mani Tofigh authored
|------------------|----------------------| | Please change the actual name of the login node to a placeholder |
Changed to `<login-node>` | | Decouple it from the batch submission guide | Removed references to "Basic batch job example" | | Put the content on SSH port forwarding into its own section | Created dedicated "SSH Port Forwarding" section with subsections | | Add instructions on how to do SSH port forwarding through an Adams 204 machine | Added complete SSH tunnel command for Linux lab machines | | Remind the user that the compute nodes themselves have no Internet access | Added reminder about file transfer through login node | | Add a link on the submitting jobs guide to the new Jupyter Notebook page | Added link under "Interactive jobs" section | | Briefly explain the use of srun for launching an interactive shell | Added "Working on the Same Node" section with `srun` command | | Add a sentence about /home/<username>/ limitations | Added "Storage Space and Performance" section | | Explain that additional packages can be installed through conda | will do this after the addition of the Condo page | | Mention that using Docker images is also an option | Added Container Images section with Apptainer link at the bottom | | Please confirm the example job script is actually tested and works as expected | I have to retry this as I previously only tested it with the VPN and not through the LL machines. |
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- 16 Oct, 2024 1 commit
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Mani Tofigh authored
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- 27 Sep, 2024 3 commits
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Aishwary authored
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Aadil authored
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Alexander Rosenberg authored
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- 25 Sep, 2024 11 commits
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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- 20 Sep, 2024 1 commit
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Aadil M. Alli authored
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- 06 Sep, 2024 3 commits
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Aadil M. Alli authored
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Aadil M. Alli authored
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Aadil M. Alli authored
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- 15 Mar, 2024 1 commit
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Mani Tofigh authored
Added a caution message for checking version availability before loading a module using module avail
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- 19 Jan, 2024 1 commit
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Mani Tofigh authored
deleted: development/compilers.md deleted: development/debugging.md deleted: development/environment.md deleted: development/files/perf-reports.jpg deleted: development/files/perf-reports.sh deleted: development/optimization.md modified: help/writing-support-requests.md deleted: jobs/batch.md deleted: jobs/dos_and_donts.md deleted: jobs/examples.md deleted: jobs/interactive.md deleted: jobs/job_management.md deleted: jobs/monitoring.md deleted: jobs/running_mpi_jobs.md deleted: jobs/slurm_parameter.md deleted: news/new_sw.rst deleted: news/news.rst deleted: news/slurm.jpg deleted: news/tag.jpg deleted: software/AboutLicenses.md deleted: software/applications.md deleted: software/applications/README.md deleted: software/applications/chemistry/ADF/ADF.rst deleted: software/applications/chemistry/ADF/ADFprog.rst deleted: software/applications/chemistry/ADF/Band.rst deleted: software/applications/chemistry/ADF/advanced.rst deleted: software/applications/chemistry/ADF/firsttime_adf.rst deleted: software/applications/chemistry/ADF/firsttime_band.rst deleted: software/applications/chemistry/Dalton/Dalton.rst deleted: software/applications/chemistry/Dalton/firsttime_dalton.rst deleted: software/applications/chemistry/Gaussian/GaussView.rst deleted: software/applications/chemistry/Gaussian/README.md deleted: software/applications/chemistry/Gaussian/example.com deleted: software/applications/chemistry/Gaussian/gaussian-runscript.sh deleted: software/applications/chemistry/Gaussian/gaussian_on_stallo.rst deleted: software/applications/chemistry/Gaussian/job-example.rst deleted: software/applications/chemistry/Gaussian/overview.rst deleted: software/applications/chemistry/Molcas/Molcas.rst deleted: software/applications/chemistry/Molcas/firsttime_molcas.rst deleted: software/applications/chemistry/ORCA/ORCA.rst deleted: software/applications/chemistry/ORCA/README.md deleted: software/applications/chemistry/README.md deleted: software/applications/chemistry/Schrodinger/Schrodinger.rst deleted: software/applications/chemistry/Schrodinger/install_schrod.rst deleted: software/applications/chemistry/Schrodinger/run_schrod.rst deleted: software/applications/chemistry/TURBOMOLE/TURBOMOLE.rst deleted: software/applications/chemistry/TURBOMOLE/run_turbo.rst deleted: software/applications/chemistry/VASP/README.md deleted: software/applications/chemistry/VASP/VASP.rst deleted: software/applications/chemistry/VASP/firsttime_vasp.rst deleted: software/applications/chemistry/VASP/vasp_on_stallo.rst deleted: software/applications/chemistry/files/C2H6.DFT.input deleted: software/applications/chemistry/files/C2H6.tar.gz deleted: software/applications/chemistry/files/C2H6.xyz deleted: software/applications/chemistry/files/CeO2.tar.gz deleted: software/applications/chemistry/files/License_Schrodinger.txt deleted: software/applications/chemistry/files/caffeine.adf deleted: software/applications/chemistry/files/dalton_example_files.tar.gz deleted: software/applications/chemistry/files/job_adf.sh deleted: software/applications/chemistry/files/job_band.sh deleted: software/applications/chemistry/files/job_dalton.sh deleted: software/applications/chemistry/files/job_g09.sh deleted: software/applications/chemistry/files/job_molcas.sh deleted: software/applications/chemistry/files/job_turbo.sh deleted: software/applications/chemistry/files/job_vasp.sh deleted: software/applications/chemistry/files/orca.inp deleted: software/applications/chemistry/files/silicone.adf deleted: software/applications/firstime_run.rst.template deleted: software/applications/math-stat/MATLAB.rst.stub deleted: software/applications/math-stat/Mathematica.rst.stub deleted: software/applications/math-stat/R.rst.stub deleted: software/applications/math-stat/README.md deleted: software/applications/math-stat/STATA.rst.stub deleted: software/applications/physics/COMSOL/COMSOL.rst deleted: software/applications/physics/COMSOL/README.md deleted: software/applications/physics/COMSOL/firsttime_comsol.rst deleted: software/applications/physics/README.md deleted: software/applications/physics/Star-CCM+/Star-CCM+.rst.stub deleted: software/applications/physics/files/StarCCM+ex.sim deleted: software/applications/physics/files/comsol_smalltest.mph deleted: software/applications/physics/files/job_StarCCM+.sh deleted: software/applications/physics/files/run_comsol.sh deleted: software/linux.md deleted: software/python_r_perl.md
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- 18 Jan, 2024 1 commit
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Mani Tofigh authored
modified: jobs/dos_and_donts.md modified: jobs/job_management.md modified: jobs/slurm_parameter.md deleted: software/modules.md
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- 17 Jan, 2024 1 commit
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Mani Tofigh authored
1) Deleted Stallo's env module page and added our own completed version under the Software section. 2) Deleted Guides folder and moved the Slurm doc under the Jobs setion (Will further have to incorporate both versions)
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- 03 Jan, 2024 1 commit
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hucscsys authored
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