Diffusion SCITAS examples on how to run on the clusters (master) History

History
master824d2e1a22d1cc7dc6d5819…

Dec 12 2022

Cleaning and adaptation to Jed
824d2e1a22d1
·branch: master
·ylopes on Dec 12 2022, 15:38.

May 7 2021

COMSOL: improve README
84ba7e72cfdb
·rmsilva on May 7 2021, 15:39.
COMSOL: deleted old v4.0 input file and bugfix in single node example
d215e5618de6
·rmsilva on May 7 2021, 15:30.

Mar 16 2021

Adapt README for Gromacs
1e3fe723037d
·lanti on Mar 16 2021, 14:13.
Adapt Gromacs example for Izar
7f8d11deec78
·lanti on Mar 16 2021, 14:08.

Feb 2 2021

Add R + Gurobi example
3510db046d86
·rmsilva on Feb 2 2021, 17:37.
Fluent job scripts changed to unix format
4ab135d1cc01
·Jiannong on Feb 2 2021, 10:20.

Feb 1 2021

Job submit scripts updated and new input file added
165c826c38e7
·Jiannong on Feb 1 2021, 19:12.

Dec 7 2020

Just some text enrichement of the README file
5bf1d6eb6e1d
·degiorgi on Dec 7 2020, 14:35.
RSM part not needed anymore as this is already configured with new Ansys version
9bcb40001ae1
·degiorgi on Dec 7 2020, 12:29.

May 12 2020

Final syntax rendering
28a7ad4830db
·degiorgi on May 12 2020, 15:47.
Error correction
9d9272263154
·degiorgi on May 12 2020, 15:46.
Syntax
f394fb4d6a00
·degiorgi on May 12 2020, 15:45.
Syntax
edb4a919e532
·degiorgi on May 12 2020, 15:43.
Syntax
9336968677d5
·degiorgi on May 12 2020, 15:33.
Syntax tests
14e96e5071b7
·degiorgi on May 12 2020, 15:30.
Syntax
404005ad10c7
·degiorgi on May 12 2020, 15:21.
Syntax correction
891d8b7122e1
·degiorgi on May 12 2020, 15:16.
Syntax modification
3b8c1664c8fa
·degiorgi on May 12 2020, 15:08.
Syntax correction
5c08d0fa9456
·degiorgi on May 12 2020, 14:59.
Syntax correction
66aed84f7047
·degiorgi on May 12 2020, 14:45.
Replaced README by README.md (better syntax recognition?)
755614684472
·degiorgi on May 12 2020, 14:16.
Errors corrections
bfea395dadab
·degiorgi on May 12 2020, 14:14.
Added workaround for example job.fluent.slurm
6b2b06ff4e69
·degiorgi on May 12 2020, 14:02.

May 11 2020

Added workaround in case of problem with job2.fluent.slurm Updated most…
4ec12a536b43
·degiorgi on May 11 2020, 18:44.

Jul 31 2019

Fix for SLURM_NTASKS_PER_NODE not set properly
bc49ac60f97b
·richart on Jul 31 2019, 13:38.

Jul 22 2019

spark available in depcreated
b7cf571fdfc3
·aubort on Jul 22 2019, 14:52.
vasp is not available anymore
40c2b3ae80fe
·aubort on Jul 22 2019, 14:44.
Spark is not available anymore
37af9b1722b5
·aubort on Jul 22 2019, 14:42.

Jul 19 2019

R is build against gcc only
48ef2040a2b0
·aubort on Jul 19 2019, 17:12.
oommf not available anymore
fcc91ab7eed0
·aubort on Jul 19 2019, 17:05.
molpro not available
62829e2e08cc
·aubort on Jul 19 2019, 17:04.
Add FIXME
a556510ac7b0
·aubort on Jul 19 2019, 16:39.
cp2k only in deprecated
139888eee3d9
·aubort on Jul 19 2019, 15:57.
fix ansys binary name
e65879a8ef90
·aubort on Jul 19 2019, 15:24.
Abaqus module not available anymore
d75e1c614d9e
·aubort on Jul 19 2019, 15:12.

Jul 18 2019

ansys: remove usessh, it's now the default
bfec6a8798c8
·aubort on Jul 18 2019, 15:54.
load adf without the version so it works with the latest
c388bf4fe602
·aubort on Jul 18 2019, 15:44.
rename mkl to intel-mkl
72dfd9b3a783
·aubort on Jul 18 2019, 15:42.
rename intel-mpi package in deprecated
400131b26540
·aubort on Jul 18 2019, 15:41.

Jun 3 2019

Update README
5f1b1cc10267
·Jiannong on Jun 3 2019, 12:34.
Added custom files for ANSYS RSM and updates of version 19.2
6a6c62d443e1
·Jiannong on Jun 3 2019, 12:29.

Feb 18 2019

All slurm batch script use bash -l to correctly load module environment
e92c6ef7d64d
·aubort on Feb 18 2019, 13:09.

Nov 30 2018

Add some references for Mathematica
4a0786ef2f4a
·aubort on Nov 30 2018, 11:27.

Sep 7 2018

Added comsol examples and notes
43fddf1f82b7
·Jiannong on Sep 7 2018, 10:34.
Updated ansys examples
c90221e175be
·Jiannong on Sep 7 2018, 09:42.

Sep 6 2018

Summary
b68bf3754284
·Jiannong on Sep 6 2018, 16:30.

Jun 12 2018

Spark try 2
bf1f3f77ceee
·• rezzonico on Jun 12 2018, 17:28.
Merge branch 'master' of ssh://c4science.ch/source/scitas-examples
2ec2719a6ce0
·• rezzonico on Jun 12 2018, 17:27.
Spark example added
d62618ab0c1a
·• rezzonico on Jun 12 2018, 17:26.

Mar 22 2018

Removed HPL-hybrid HPL-mpi HPL-omp examples
7966f18ba65e
·desbiolles on Mar 22 2018, 10:25.

Jan 8 2018

Example for Mathematica in parallel added
a337db9ad288
·• rezzonico on Jan 8 2018, 15:50.

Dec 7 2017

Fixed the slurm script
6b205dcca1ee
·varini on Dec 7 2017, 06:21.

Dec 4 2017

Working for tf>1
fb70a040a367
·varini on Dec 4 2017, 16:37.
Added mnist example
4cc347585190
·varini on Dec 4 2017, 16:07.
Tensorflow example added
9ff7002e5a6b
·• rezzonico on Dec 4 2017, 14:39.

Nov 14 2017

Complete a comment
fc9217ed6686
·rmsilva on Nov 14 2017, 12:49.

Nov 13 2017

Added example to occupy nodes with serial tasks
4de6b9747199
·rmsilva on Nov 13 2017, 18:08.
Added example to occupy one node with arbitrary input
57e1ca0874cf
·rmsilva on Nov 13 2017, 18:06.

Oct 31 2017

Updated most examples (module name, version number, cluster name)
33f633756254
·desbiolles on Oct 31 2017, 12:09.

Oct 6 2017

Mathematica examples added
e32a3c547d76
·• rezzonico on Oct 6 2017, 08:24.

Sep 16 2017

Maple example added
0dab3cf736d8
·• rezzonico on Sep 16 2017, 15:08.

Aug 10 2017

Modules versions adapted
c4fdcf067db1
·orliac on Aug 10 2017, 13:35.

May 5 2017

Pi with spark+scala example included
28678ce45740
·• rezzonico on May 5 2017, 18:54.

May 4 2017

Spark examples added
5139c54b7892
·• rezzonico on May 4 2017, 11:05.
R example updated with R CMD
fe3d8b41bab0
·• rezzonico on May 4 2017, 10:59.

May 2 2017

snowfall example comment removed
5af8f869436a
·• rezzonico on May 2 2017, 14:28.
R examples added
24a2a7e1f240
·• rezzonico on May 2 2017, 14:23.

Mar 30 2017

Added Ansys example
c74251aa96e8
·desbiolles on Mar 30 2017, 17:40.

Nov 24 2016

Comsol example: fixed slurm job script
d84e679c861b
·desbiolles on Nov 24 2016, 15:10.

Nov 8 2016

Fixed compiler and software versions in Abaqus examples
50c191b5241f
·desbiolles on Nov 8 2016, 17:51.

Oct 18 2016

Updated Fluent example: removed deprecated and added multi-node job example
9c1a2d7084d3
·desbiolles on Oct 18 2016, 17:27.

Aug 29 2016

depercated to deprecated in job.gaussian.slurm
93c9ac0b0fe5
·vkeller on Aug 29 2016, 16:40.

Aug 17 2016

Merge branch 'master' of ssh://c4science.ch:2222/diffusion/SCEXAMPLES/scitas…
1788d4350adc
·richart on Aug 17 2016, 13:23.
switching to deprectated modules
3f97bda050cd
·richart on Aug 17 2016, 11:44.

Jul 4 2016

Updated Basic examples for spack and lmod environment
a9c5dbfe54cd
·desbiolles on Jul 4 2016, 16:39.

May 24 2016

Job array with parameter file
f608519b2838
·branch: spack
·• rezzonico on May 24 2016, 15:38.

May 20 2016

Matlab One Node, removed single task, More intuitive now
f5fb34968228
·• rezzonico on May 20 2016, 15:22.
Matlab test that occupies one whole node
27f889c149a6
·• rezzonico on May 20 2016, 15:18.

Mar 2 2016

Basic example one GPU
95605252c514
·• rezzonico on Mar 2 2016, 16:13.

Jan 28 2016

Remove Vicky's email address from examples
6e7152b820f6
·ewan on Jan 28 2016, 13:37.

Jan 27 2016

Merge branch 'master' of https://git.epfl.ch/repo/scitas-examples
f3769d4050af
·richart on Jan 27 2016, 19:53.

Dec 8 2015

Fixed all example scripts to invoke a login shell
bf427890bfa9
·rmsilva on Dec 8 2015, 10:01.

Nov 25 2015

Adding an example of checkpoint copy triggered by slurm in gaussian jobs
57d264e76184
·richart on Nov 25 2015, 17:11.

Nov 2 2015

Added some explanations
d8c943c3379c
·desbiolles on Nov 2 2015, 11:16.

Oct 27 2015

Added a test case for Fluent
504d03358431
·desbiolles on Oct 27 2015, 11:15.

Oct 4 2015

Occupy one node example
f30a09b30c42
·• rezzonico on Oct 4 2015, 11:12.

Sep 30 2015

Matlab FakeArray
3f09dc00f842
·• rezzonico on Sep 30 2015, 15:51.

Sep 28 2015

Readmes for Fake and Real Job Arrays
24feffb1e7ef
·• rezzonico on Sep 28 2015, 10:35.

Sep 25 2015

Fake Job Array
aa42791c024d
·• rezzonico on Sep 25 2015, 16:41.

Sep 15 2015

Adding a few more chemistry related codes
f5fa52c67f36
·ddossant on Sep 15 2015, 13:44.

Sep 14 2015

ParaView
8fd424392d58
·• rezzonico on Sep 14 2015, 14:58.

Jul 17 2015

Abaqus/Standard and Abaqus/Explicit examples
cdd28958a75a
·richart on Jul 17 2015, 22:09.

Jun 21 2015

Deleted files
2a5a0fc6308f
·• rezzonico on Jun 21 2015, 02:18.
Directories reorg
c52f15310a1b
·• rezzonico on Jun 21 2015, 02:15.

Jun 17 2015

Chemistry codes added
40f4c0b671dc
·ddossant on Jun 17 2015, 09:54.

Jun 14 2015

MPI and Matlab added
99a22c48a6f5
·• rezzonico on Jun 14 2015, 19:12.
Global cleanup. All scripts hve been tested in this branch. Switch to testing…
5887e0c43c10
·Vittoria Rezzonico on Jun 14 2015, 19:04.
checkout branch asked me to do this
ebea72f7d10c
·Vittoria Rezzonico on Jun 14 2015, 18:20.

Jun 10 2015

2d version
cc83180ad2f5
·Vittoria Rezzonico on Jun 10 2015, 14:53.