Commits · fc4784e627d2a52996b7411e985e45d0fa67bbb1 · external / CHiPS

Jan 28, 2020

gromacs : ajout cas test large ion channel (fct nb MPI) et modif cas test... · fc4784e6

cloirec authored 5 years ago

gromacs : ajout cas test large ion channel (fct nb MPI) et modif cas test small ion channel (fct nb MPI bv nb nodes) pour occigen-bdw

fc4784e6

Jan 20, 2020
- gromacs : ajout de #SBATCH --threads-per-core=1 dans batch_small_ion_channel.slurm d'occigen-bdw · a75efe76
  cloirec authored 5 years ago
  
  a75efe76
Jan 17, 2020
- Merge branch 'develop' of https://dci-gitlab.cines.fr/dci/abs into develop · 5be14d1d
  Gab authored 5 years ago
  
  5be14d1d
- Smilei: update xlarge test case · 04cc1b17
  Gab authored 5 years ago
  
  04cc1b17
- Clean testscase_small · def30d60
  midou authored 5 years ago
  
  def30d60
- Merge branch 'develop' of https://dci-gitlab.cines.fr/dci/abs into develop · 96f42ff8
  midou authored 5 years ago
  
  96f42ff8
- clean · 9b35e86b
  midou authored 5 years ago
  
  9b35e86b
- Smilei: change name of env files · aab02335
  Gab authored 5 years ago
  
  aab02335
- Add FlauBERT · 702c2640
  penalva authored 5 years ago
  
  702c2640
Jan 16, 2020
- Add the aps report for small yales2bio test. Correct the environement and the... · 3c9e6367
  midou authored 5 years ago
```
Add the aps report for small yales2bio test. Correct the environement and the environment source in the batch file
```
  3c9e6367
- gromacs u+x compile.sh · 23caa5b2
  cloirec authored 5 years ago
  
  23caa5b2
- gromacs ajout commentaire pour run.sh et validate.sh · 43eb4795
  cloirec authored 5 years ago
  
  43eb4795
- gromacs ajout des batch pour cas test small_ion_channel et env pour irene-amd,... · 63b80bd1
  cloirec authored 5 years ago
```
gromacs ajout des batch pour cas test small_ion_channel et env pour irene-amd, jean-zay-cpu, jean-zay-gpu et occigen-bdw
```
  63b80bd1
- gromacs remove machines · a59f46ae
  cloirec authored 5 years ago
  
  a59f46ae
- ajout gromacs compile.sh, download.sh, testcase_ion_channel_small · 00c5719d
  cloirec authored 5 years ago
  
  00c5719d
- Merge branch 'develop' of https://dci-gitlab.cines.fr/dci/abs into develop · 87d86387
  Gab authored 5 years ago
  
  87d86387
- added debug small and large for smilei on JZ · ec29a02e
  Gab authored 5 years ago
  
  ec29a02e
Jan 15, 2020
- Add the download and compiling of GYSELAX · d4e91e89
  midou authored 5 years ago
  
  d4e91e89
- Add info in prepare.sh · 94bb6e53
  midou authored 5 years ago
  
  94bb6e53
- Clean · 7625c420
  midou authored 5 years ago
  
  7625c420
- Add the small test case for YALES2BIO · 429eba48
  midou authored 5 years ago
  
  429eba48
- Merge branch 'develop' of https://dci-gitlab.cines.fr/dci/abs into develop · 92c381c7
  midou authored 5 years ago
  
  92c381c7
- Remove the source environment from the compile.sh. It has to be done before · 6f5fbd3f
  midou authored 5 years ago
  
  6f5fbd3f
- Begin to write the README.md file · 19d0f9e1
  midou authored 5 years ago
  
  19d0f9e1
- added xlarge test case for smilei · 6f1ec06e
  Gab authored 5 years ago
  
  6f1ec06e
- update small test case · a162be20
  Gab authored 5 years ago
  
  a162be20
- added large test case · 43ff67b9
  Gab authored 5 years ago
  
  43ff67b9
- Write the compile.sh file. Several tests are done to check the compilation · 87c9c10f
  midou authored 5 years ago
  
  87c9c10f
- Add the BENCH_ARCH environment variable. It has to be placed elsewhere · 6149277c
  midou authored 5 years ago
  
  6149277c
- added small testcase · 4fb0ff92
  Gab authored 5 years ago
  
  4fb0ff92
- Merge branch 'develop' of https://dci-gitlab.cines.fr/dci/abs into develop · 1564baec
  Gab authored 5 years ago
  
  1564baec
- debug case added · ad960956
  Gab authored 5 years ago
  
  ad960956
- add compile.sh, based on Occigen env · 8a4b166c
  Gab authored 5 years ago
  
  8a4b166c
- Error correction · f2a909f5
  midou authored 5 years ago
  
  f2a909f5
- Add some checking section in download.sh · 63c8e3d6
  midou authored 5 years ago
  
  63c8e3d6
Jan 14, 2020
- Remove the environments sourcing from the download.sh · 375c2bd1
  midou authored 5 years ago
  
  375c2bd1
- Gromacs : ajout caracteristiques dans readme · c48188a5
  cloirec authored 5 years ago
  
  c48188a5
- ADD GYSELAX directory + download gysela and source the occigen environment · 3923f0b4
  midou authored 5 years ago
  
  3923f0b4
- Create YALES2BIO directory + update the download file and occigen environment · 21a2b5ac
  midou authored 5 years ago
  
  21a2b5ac
Jan 13, 2020
- add VASP dir · b676d810
  Gab authored 5 years ago
  
  b676d810