Commits · 1-update-to-gromacs-2020 · external / CHiPS

Apr 07, 2020
- update Occigen to use gcc6 and cmake16 for Gromacs20 requirements · 583796d8
  Gab authored 4 years ago
  
  583796d8
- update CPU version for JZ · 8ac29c59
  Gab authored 4 years ago
  
  8ac29c59
Apr 03, 2020
- update GPU test case to run on 20Nodes + MPS · d95757dc
  Gab authored 4 years ago
  
  d95757dc
- merge develop in current branch · 3bf8589c
  Gab authored 4 years ago
  
  3bf8589c
Apr 02, 2020
- Merge branch '5-standardise-gysela' into 'develop' · a4bd7de7
  Gab authored 4 years ago
```
Resolve "Standardise Gysela"

Closes #5

See merge request dci/abs!5
```
  a4bd7de7
- Update README.md · c3a05ad3
  Gab authored 4 years ago
  
  c3a05ad3
- Update README.md · ba416dec
  Gab authored 4 years ago
  
  ba416dec
- Update .gitignore · 4141d4d0
  Gab authored 4 years ago
  
  4141d4d0
- Update .gitignore · a5a77b7a
  Gab authored 4 years ago
  
  a5a77b7a
Mar 30, 2020
- fix merge issue · 5cb7a65e
  Gab authored 4 years ago
  
  5cb7a65e
- merged CI conflicts from dev · f76f6048
  Gab authored 4 years ago
  
  f76f6048
- Merge branch '10-standardise-mumps' into 'develop' · d182f566
  Gab authored 4 years ago
```
Resolve "Standardise MUMPS"

Closes #10

See merge request dci/abs!7
```
  d182f566
Mar 27, 2020
- duplicate slurm script for scale case bis · c73f3a2c
  bertrand authored 4 years ago
  
  c73f3a2c
- Merge branch '9-standardise-abinit' into 'develop' · 0e3c6608
  Gab authored 4 years ago
```
Resolve "Standardise Abinit"

Closes #9

See merge request dci/abs!12
```
  0e3c6608
- add CI · 7597cf37
  Gab authored 4 years ago
  
  7597cf37
- Merge branch 'develop' into 9-standardise-abinit · 8ba64b88
  Gab authored 4 years ago
  
  8ba64b88
- first slurm script+env and Makefile for Irene · 64b660d1
  bertrand authored 4 years ago
  
  64b660d1
- added gitignore · b4baa6bd
  Gab authored 4 years ago
  
  b4baa6bd
- add CI · 2fd7473b
  Gab authored 4 years ago
  
  2fd7473b
- Merge branch 'develop' into 5-standardise-gysela · a4f22e36
  Gab authored 4 years ago
  
  a4f22e36
- added README · 49b19cd8
  Gab authored 4 years ago
  
  49b19cd8
- add CI for download and compile · 7a0f0298
  Gab authored 4 years ago
  
  7a0f0298
Mar 26, 2020
- update scale case to use the right input · aa4bf1a6
  Gab authored 4 years ago
  
  aa4bf1a6
- update charge case to use the right input · 32400975
  Gab authored 4 years ago
  
  32400975
Mar 25, 2020
- first test for scale · 4f05edeb
  Gab authored 4 years ago
  
  4f05edeb
- update compile and run to work localy · af25f7f9
  Gab authored 4 years ago
  
  af25f7f9
- Abinit: Fix downloads and copy · ccfdc944
  jourdain authored 4 years ago
  
  ccfdc944
- update gitignore · 40682823
  Gab authored 4 years ago
  
  40682823
- update testcase_small · 5d30c5ee
  Gab authored 4 years ago
  
  5d30c5ee
- Abinit: harmonized script · a21fb1fd
  jourdain authored 4 years ago
  
  a21fb1fd
- Abinit: update readme · 29745a4e
  jourdain authored 4 years ago
  
  29745a4e
- Abinit: standardize validate.sh · 5fc850cc
  jourdain authored 4 years ago
  
  5fc850cc
- Abinit: standardize prepare.sh · a1822381
  jourdain authored 4 years ago
  
  a1822381
- add gitignore for charge test · 575f8f81
  Gab authored 4 years ago
  
  575f8f81
- add prepare and run phase · 5dfa7bb7
  Gab authored 4 years ago
  
  5dfa7bb7
- use input_charge now, instead of complicated name · 92640c45
  Gab authored 4 years ago
  
  92640c45
- update occigen to intelmpi env · ff2d5bc1
  Gab authored 4 years ago
  
  ff2d5bc1
- Complete the documentation to add a new machine in GYSELAX · 189e3ac4
  midou authored 4 years ago
  
  189e3ac4
- Merge branch 'develop' into 10-standardise-mumps · 3cb3f723
  Gab authored 4 years ago
  
  3cb3f723
- first changes for O2 · 0e06750d
  Gab authored 4 years ago
  
  0e06750d