Commits · master · CNMS / CNMS_Computing_Resources

04 Sep, 2020 2 commits
- nwchem works with srun · e03d673b
  Doak, Peter W authored Sep 04, 2020
  
  e03d673b
- nwchem example script. · 45c6d6ee
  Doak, Peter W authored Sep 04, 2020
  
  45c6d6ee
02 Jan, 2020 3 commits
- working espresso example slurm script · 16b5a60e
  Doak, Peter W authored Jan 02, 2020
  
  16b5a60e
- removing retired systems · c6d2fa7a
  Doak, Peter W authored Jan 02, 2020
  
  c6d2fa7a
- work to get working lammps example · abdaaa99
  Doak, Peter W authored Jan 02, 2020
  
  abdaaa99
15 Nov, 2019 1 commit
- rename lammps example script for slurm · 8bcd2712
  Doak, Peter W authored Nov 14, 2019
  
  8bcd2712
13 Nov, 2019 3 commits
- using an example that doesn't kill DAV · 502dd5aa
  Doak, Peter W authored Nov 13, 2019
  
  502dd5aa
- working slurm script, seems brittle · 6fc18c45
  Doak, Peter W authored Nov 13, 2019
  
  6fc18c45
- CNMS cades is pbs no longer so rename · af3f0fe0
  Doak, Peter W authored Nov 13, 2019
  
  af3f0fe0
25 Jul, 2019 1 commit
- Merge branch 'rajeev_multi_jobs' · 82d9ca1b
  Doak, Peter W authored Jul 25, 2019
  
  82d9ca1b
11 Feb, 2019 2 commits
- fix missing do · 505eb2c5
  Doak, Peter W authored Feb 11, 2019
  
  505eb2c5
- first attempt at polyswift batching · e34aac2e
  Doak, Peter W authored Feb 11, 2019
  
  e34aac2e
23 Apr, 2018 1 commit
- running with more memory · 0e8a4b1c
  Doak, Peter W authored Apr 23, 2018
  
  0e8a4b1c
08 Feb, 2018 1 commit
- explicit binding for arb mpi code · ef22c04f
  Doak, Peter W authored Feb 08, 2018
  
  ef22c04f
06 Feb, 2018 1 commit
- Metis Vasp Example · e0d91647
  Doak, Peter W authored Feb 06, 2018
  
  e0d91647
01 Feb, 2018 1 commit
- example of explicit binding to cpu's · c5cfded1
  Doak, Peter W authored Feb 01, 2018
  
  c5cfded1
14 Dec, 2017 2 commits
- clean up of example · 380cc15b
  Doak, Peter W authored Dec 13, 2017
  
  380cc15b
- Titan NAMD example · c54508b1
  Doak, Peter W authored Dec 13, 2017
  
  c54508b1
07 Nov, 2017 1 commit
- Update lammps_job.pbs · 908fb94b
  Doak, Peter W authored Nov 07, 2017
  
  908fb94b
20 Jul, 2017 1 commit
- abinit_job.pbs needed a pbs header update · 8e4352d3
  Doak, Peter W authored Jul 20, 2017
  
  8e4352d3
16 Jun, 2017 2 commits
- Merge branch 'master' of code.ornl.gov:CNMS/CNMS_Computing_Resources · e7f6b516
  Doak, Peter W authored Jun 16, 2017
  
  e7f6b516
- this script catches the term signal and writes the · 2a91908e
  Doak, Peter W authored Jun 16, 2017
```
espresso exit file.  Then it waits.  Also changes restart to restart in
in file
```
  2a91908e
05 Jun, 2017 1 commit
- this should fix a difficulty with parsing vasp forces · 63369ec8
  Doak, Peter W authored Jun 05, 2017
  
  63369ec8
18 May, 2017 1 commit
- more work needed to actually remove offset files · ae800389
  Doak, Peter W authored May 18, 2017
  
  ae800389
26 Apr, 2017 2 commits
- updated examples to conform to new submission params · b4ddac1a
  Doak, Peter W authored Apr 26, 2017
  
  b4ddac1a
- netlogo 6.0.1 example added · 01beff5a
  Doak, Peter W authored Apr 25, 2017
  
  01beff5a
22 Mar, 2017 5 commits
- fixed indexing bug in batched run example · 931c9c07
  Doak, Peter W authored Mar 22, 2017
  
  931c9c07
- reducing runtime for test/example · e49c900b
  Doak, Peter W authored Mar 22, 2017
  
  e49c900b
- showing example for existing VASP input dirs · 186d4043
  Doak, Peter W authored Mar 22, 2017
  
  186d4043
- Merge branch 'master' of code.ornl.gov:CNMS/CNMS_Computing_Resources · a3a3a5c2
  Doak, Peter W authored Mar 22, 2017
  
  a3a3a5c2
- clearer example for existing directories · e50400e8
  Doak, Peter W authored Mar 22, 2017
  
  e50400e8
17 Mar, 2017 1 commit
- continuation example for netlogo · 67a2be52
  Doak, Peter W authored Mar 17, 2017
  
  67a2be52
01 Mar, 2017 1 commit
- list of lists for parsing headers now supported · 5f6f33c7
  Doak, Peter W authored Mar 01, 2017
  
  5f6f33c7
28 Feb, 2017 1 commit
- Changes to reflect the new submit rules · daaa4e41
  Doak, Peter W authored Feb 28, 2017
  
  daaa4e41
27 Feb, 2017 3 commits
- Better comments for yaml file · db6e63e7
  Doak, Peter W authored Feb 27, 2017
  
  db6e63e7
- Merge branch 'master' of code.ornl.gov:CNMS/CNMS_Computing_Resources · 1ddeb8d7
  Doak, Peter W authored Feb 27, 2017
  
  1ddeb8d7
- watch_server added to repo · 24fc893c
  Doak, Peter W authored Feb 27, 2017
  
  24fc893c
15 Feb, 2017 1 commit
- Update README.md · bfab1510
  Doak, Peter W authored Feb 14, 2017
  
  bfab1510
14 Feb, 2017 2 commits
- actual example input for VASP · db1aed82
  Doak, Peter W authored Feb 14, 2017
  
  db1aed82
- adding capabilities flag · 45494307
  Doak, Peter W authored Feb 14, 2017
  
  45494307