Changes between Version 2 and Version 3 of Workshops/JobCheckpointing/SoftwareWithBuiltinCheckpointing
- Timestamp:
- 01/22/26 10:31:14 (2 days ago)
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Workshops/JobCheckpointing/SoftwareWithBuiltinCheckpointing
v2 v3 1 [[PageOutline]] 2 = Software With Built-in Checkpointing (Under construction) = 3 (content subject to change prior to the workshop) 1 = Software With Built-in Checkpointing = 4 2 5 ||='''Software'''=||='''Domain'''=||='''Checkpoint Support'''=||='''On Cypress'''=||='''On LONI '''=||3 ||='''Software'''=||='''Domain'''=||='''Checkpoint Support'''=||='''On Cypress'''=||='''On LONI clusters^*^'''=|| 6 4 |||||||||| '''Molecular dynamics (MD) & materials science''' || 7 5 ||'''GROMACS'''||MD||Automatic .cpt files, periodic save/restart|| Y || Y || … … 14 12 ||'''Chainer'''||DL||Native serialization|| N || Y || 15 13 |||||||||| '''Quantum chemistry & electronic structure''' || 16 ||'''VASP'''||Density Functional Theory (DFT)||WAVECAR, CHGCAR restart|| Y^* ^ || Y ||14 ||'''VASP'''||Density Functional Theory (DFT)||WAVECAR, CHGCAR restart|| Y^**^ || Y || 17 15 ||'''Quantum ESPRESSO'''||DFT||restart_mode='restart'|| Y || Y || 18 16 ||'''Gaussian'''||QC||Binary restart files|| Y || Y || 19 17 20 ^^* '''pyvasp''' in conda virtual environment with module '''anaconada3/2023.07''' 18 ^^* See [wiki:/Workshops/IntroToHpc2025August#a2.OtherHPCResources Other HPC Resources] 19 20 ^^*^^* '''pyvasp''' in conda virtual environment with module '''anaconada3/2023.07'''
