Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

add get energy script #8

Open
felipeZ opened this issue Nov 29, 2017 · 2 comments
Open

add get energy script #8

felipeZ opened this issue Nov 29, 2017 · 2 comments
Assignees
@felipeZ
Labels
enhancement

Comments

@felipeZ
Copy link
Contributor

felipeZ commented Nov 29, 2017

Once the gromit script finishes we want to collect the energies using the getEnergies script. It would be great if you wan include the getEnergies script into the specialization.
@felipeZ felipeZ self-assigned this Nov 29, 2017
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
call the getEnergies file from the gromit_mpi script #8
a947df6
@LourensVeen
Copy link
Member

Hold on, shouldn't this be a separate step?

@felipeZ
Copy link
Contributor Author

felipeZ commented Nov 29, 2017

I will add another CWL step

felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
removed getEnergies from gromit #8
4950d66
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
added energy step in CWL #8
e7d2f77
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
added workdir to the energies.cwl step #8
0544853
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
added an edr option to the energies.cwl step #8
f3a03f7
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
adjust path to getEnergies script in energies cwl step #8
c648247
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
connecting gromit with energy step #8
d1a32f8
felipeZ added a commit that referenced this issue Nov 29, 2017
@felipeZ
reset energies #8
def7e32
felipeZ added a commit that referenced this issue Nov 30, 2017
@felipeZ
made getEnergies script executable #8
48976ff
felipeZ added a commit that referenced this issue Nov 30, 2017
@felipeZ
updated install script #8
2c64c8d
felipeZ added a commit that referenced this issue Nov 30, 2017
@felipeZ
changed installation script #8
87308f6
felipeZ added a commit that referenced this issue Nov 30, 2017
@felipeZ
retrieved standard out/err for the energy step #8
f6da9a3
felipeZ added a commit that referenced this issue Nov 30, 2017
@felipeZ
added stdout/stderr to energy step #8
88418ce
felipeZ added a commit that referenced this issue Nov 30, 2017
@felipeZ
added energy step to workflow #8
01f7253
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@felipeZ felipeZ

Labels
enhancement
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@felipeZ @LourensVeen