Closed felipeZ closed 6 years ago
The energy output was added in (https://github.com/MD-Studio/cerise-mdstudio-das5/commit/5392d104974f0678c4ee13eda65a66360461f4c2) and also in the md_workflow.cwl But the calculation fails because there was not energy output generated. The problem is that in the remote ~/.cerise/api/steps/mdstudio/gromit.cwl there is not reference to energy.
energy output
~/.cerise/api/steps/mdstudio/gromit.cwl
I removed both the remote ~/.cerise folder and the docker instance and restart everything, but still the reference to the energy does not appear in the gromit.cwl file.
~/.cerise
gromit.cwl
I just deleted the image and pulled it from dockerhub and it works!
The
energy output
was added in (https://github.com/MD-Studio/cerise-mdstudio-das5/commit/5392d104974f0678c4ee13eda65a66360461f4c2) and also in the md_workflow.cwl But the calculation fails because there was not energy output generated. The problem is that in the remote~/.cerise/api/steps/mdstudio/gromit.cwl
there is not reference to energy.I removed both the remote
~/.cerise
folder and the docker instance and restart everything, but still the reference to the energy does not appear in thegromit.cwl
file.