Feature/select process #23
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csadorf
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For example when the node from which output is fetched was deleted.
csadorf
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Thanks, @csadorf, it is a very good feature. I tried different scenarios of running the app. Based on my interaction experience I have a few questions/suggestions:
- Is it possible to call the reset, when the structure is changed? I believe you can observe the
structuretrait for that. - Related to the previous point. If, after changing the structure, I click on the refresh button - the structure remains unchanged.
- If I open the "Select structure" accordion, the
resetbutton gets deactivate. Is it intended? - If, after selecting a finished calculation, I go back to the
New calculation..and click onRefreshbutton - the structure remains unchanged. If I change the structure, theConfirmbutton remains inactive. Only after pressingRESETtheconfirmbutton gets activated. - Selecting the running calculation seems not to be very responsive.
| assert dict(load_default_parameters()) \ | ||
| == dict(builder.scf.pw['parameters']) \ | ||
| == dict(builder.bands.pw['parameters']) | ||
| assert builder.scf.kpoints_distance == Float(0.8) |
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I am not entirely sure why do you want those parameters to always be the same. What does this condition bring?
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This check is used to ensure that the parameters of the process we load is the same that we would use to submit. Otherwise a very basic user assumption would be broken, namely that resubmitting a previous process is actually submitting with the same parameters. It would probably be even better to only show processes in the list with those parameters.
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Maybe I don't entirely understand the motivation behind but to me, a slight modification of the input parameters would be normal. For instance, for the metals, you want to include smearing, while for non-metals you don't. I think the "clever" work chains actually do those changes. So I am still not fully convinced this check is needed.
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If you load a process and then just resubmit it to a different host. Wouldn't you expect it to run the exact same calculation? Or maybe even on the same host? Would you not be very surprised if the calculation executed ends up actually being a different one? I would be. 😕
Thx! I tried different scenarios of running the app. Based on my interaction experience I have a few questions/suggestions:
Ideally it should not even be possible to select a different structure without resetting, but I'll look into that.
The "refresh" button refreshes the list of work chains, not the selected work chain. That is probably ambiguous. Since the list of work chains is auto-refreshed every 10 seconds or so anyways, should we maybe just remove the "refresh" button?
Yes, you can only reset the latest locked step, in that case it is step 2.
This seems like a bug in the structure selection step. Like I said before, it should not be possible to change the structure once it is confirmed. I'll look into it.
What exactly is not responsive? I've tried to streamline the implementation as much as possible and am not sure how to make it more efficient, but maybe you can describe to me what exactly you would expect to happen faster and I can double check for possible issues. |
For example, resetting step 1, also resets step 2 and all other following steps, while resetting from step 2 only resets step 2 and following steps. That means resetting all steps can be achieved from the first step.
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@yakutovicha I believe I've addressed all of your comments. I've changed the app behavior in the way that you suggested. So clicking reset on step 1 will actually reset all steps and furthermore, selecting a new structure automatically resets the app. Let me know what you think! |
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Thanks @csadorf.
I tested the newest changes and I have three comments:
- Looks like there is a loop that presses the
Refreshbutton with a certain interval. I don't know whether this is only my case but after a certain number of auto-refreshes, the latest output gets frozen. - Another thing is related to the code selection widget. I realized that if the code, which was used for the finished calculation, is not available - the app fails. This is entirely the problem of the
CodeDropdownwidget and has been fixed in the previous release. This makes it important to update the image before running the tutorial. - I would probably remove the structure after selecting the "New calculation" in the process selection widget, but this is up to you in the end.
No, I have not experienced that issue. Does the widget simply not update anymore or does it remain disabled?
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I'll consider it. |
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@yakutovicha I've played around with resetting the structure as well and found that it leads to inconsistencies to what the "New calculation..." state implies. So for the time being, I'd prefer to leave it as is. I have not been able to identify any issues with the process selection auto-refresh. |
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@yakutovicha Issue should be fixed now. |
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thanks, @csadorf .
There is one little remaining issue: if one runs a calculation, then switches to a completed one, and then switches back to the running calculation - the on-the-fly output gets frozen.
But I think it is fine to fix it later. This is not a critical issue.
* Add header to retrieve previously submitted processes. * Make ProcessOutputFollower more resilient against errors during fetch. For example when the node from which output is fetched was deleted. * Enable app steps reset from arbitrary step. For example, resetting step 1, also resets step 2 and all other following steps, while resetting from step 2 only resets step 2 and following steps. That means resetting all steps can be achieved from the first step. * Automatically reset steps when selecting a new and different structure. * Fix issue causing the latest output to hang upon process list refresh.
Enable the switch between previously submitted processes and the submission of new processes.