Problems and Technical Issues with Rosetta@home

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Sid Celery

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Message 106997 - Posted: 28 Sep 2022, 0:28:14 UTC - in response to Message 106996.  

On Python tasks, we've already had issues on memory and disk demands and tweaked our setups as best we can and prevailed on the project to pare those demands to the bone.
Hopefully the larger VM disk image doesn't impact that further and tasks will run in the same footprint we've become accustomed to, but there's no guarantee.
What we can say is it won't get smaller, so we'll have to continue to understand that our older and smaller machines will become less able to contribute over time.

On the continuing need for our volunteer capacity, it sounds like work here will continue to be needed, though whether that's at the current rate or more or less remains to be seen.
Some will continue to think we're being strung along, but I chose not to engage with recent paranoia and I'll continue to be available if we're needed.
This is backed up by mention of hiring someone to work on the Rosetta application - for the first time and you don't do that if you're planning to mothball the project.

Reading literally, I'll hope to see something at the end of October or more likely the beginning of November, so let's see how that timeline goes.
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Mr P Hucker
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Message 106999 - Posted: 28 Sep 2022, 10:54:10 UTC

Good to hear they are working hard on new stuff for 4.2 and Python. After watching David Baker's video at TED posted by Kotenok it seems a very worthwhile cause.

Only newer CPUs can run Python due to the AVX instruction being required. The three I have that will run it will take 64GB, 128GB, and 128GB RAM, so if it needs it I'll buy it. They currently only have 48GB, 64GB, 32GB. My antiques that will only take 8GB RAM have a CP{U incapable of Python anyway.
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Sid Celery

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Message 107011 - Posted: 30 Sep 2022, 0:32:18 UTC - in response to Message 106997.  

Reading literally, I'll hope to see something at the end of October or more likely the beginning of November, so let's see how that timeline goes.

I did also mention that any tasks they want to push through before any new version of Rosetta or Python is available will be welcome, so it was pleasing to see another small batch of "hallucinated" tasks come through today.
No, I don't think my comment made the slightest difference in receiving those new tasks, but seeing almost all of them downloaded already backs up the point I made
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.clair.

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Message 107012 - Posted: 30 Sep 2022, 1:13:58 UTC

What a lot of R4.2 work - or am I hallucinate`ing .
Nice to know that rosetta may have work ready when I need to switch the `heaters` on :-)

spam , SPAM , SPAM!!! they have been busy today , sorry , I did`nt read your post correctly .

Parrots , Long ago when I was small and not as worldly wise as I am now {aka = stupid kid} I ended up with thirty gerbil`s , wow can they breed , worse than humans .
what would 8 billion gerbils do to a planet , chew it into little piece`s and shit all over it , hmmm . . . . .
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Mr P Hucker
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Message 107013 - Posted: 30 Sep 2022, 10:36:51 UTC - in response to Message 107011.  

I did also mention that any tasks they want to push through before any new version of Rosetta or Python is available will be welcome, so it was pleasing to see another small batch of "hallucinated" tasks come through today.
No, I don't think my comment made the slightest difference in receiving those new tasks, but seeing almost all of them downloaded already backs up the point I made
Some of the hallucinate ones said "test", so something new is happening.
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Mr P Hucker
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Message 107014 - Posted: 30 Sep 2022, 10:40:33 UTC - in response to Message 107012.  

What a lot of R4.2 work - or am I hallucinate`ing .
Nice to know that rosetta may have work ready when I need to switch the `heaters` on :-)
I am, but I smoke things I'm not supposed to in this country.

Parrots , Long ago when I was small and not as worldly wise as I am now {aka = stupid kid} I ended up with thirty gerbil`s , wow can they breed , worse than humans .
what would 8 billion gerbils do to a planet , chew it into little piece`s and shit all over it , hmmm . . . . .
I have 20 parrots and they are too fussy, difficult to make them breed. If they all bred properly, I could make £30,000 British / $32,500 USA per year.
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Message 107019 - Posted: 1 Oct 2022, 23:37:17 UTC

Was thinking about chaning my rigs over to a new project to see, lo an behold Rosetta starts getting work again! :D
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Sid Celery

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Message 107020 - Posted: 2 Oct 2022, 1:06:16 UTC - in response to Message 107019.  

Was thinking about changing my rigs over to a new project to see, lo and behold Rosetta starts getting work again! :D

Yes! 3rd batch in about a week - this one is a little bigger than the last two, I think.
Not sure what's going on!
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Profile Grant (SSSF)

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Message 107021 - Posted: 2 Oct 2022, 1:38:18 UTC - in response to Message 107020.  

Yes! 3rd batch in about a week - this one is a little bigger than the last two, I think.
Way bigger.
One of (if not the) biggest in the last 2 years- certainly the biggest in the last 12 months.
Around 850,000 or so (120k in progress, 725k in the queue).
Grant
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srettie
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Message 107022 - Posted: 2 Oct 2022, 5:34:33 UTC - in response to Message 107021.  

Hello, these are from me. I thought I'd double check how things looked on the forums after submitting such a massive run.

This is part of a massive sampling of small cyclic peptides generated using some pretty cool tweaks to Alphafold 2. The term hallucinated refers to protein structures generated using this method: https://www.nature.com/articles/s41586-021-04184-w

These jobs are generating energy landscapes for structurally diverse cluster centers. I'm super excited about these results and really appreciate the incredible amount of computation available from Rosetta@home. The info we get from this will help us put together a massive set of peptide backbones for binder design projects in the future.

I hope to be submitting more... Assuming I'm not breaking any rules by monopolizing this resource.

Thank you all!

-Stephen
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Profile Grant (SSSF)

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Message 107023 - Posted: 2 Oct 2022, 5:50:59 UTC - in response to Message 107022.  

I hope to be submitting more... Assuming I'm not breaking any rules by monopolizing this resource.
Nope.
Many of the systems that used to process Rosetta work have been moved to other projects due to the lack of Rosetta 4.20 work here for some time now. And due to the system requirements of Python Tasks, very few systems were capable of processing them, and because of issues with the application/ some Tasks many others that could have processed them chose not to because of the manual intervention often required to sort out those issues.

The more Rosetta 4.20 work there is, then the more people that will come to process it, and the sooner it will be returned.
Grant
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Mr P Hucker
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Message 107024 - Posted: 2 Oct 2022, 9:30:50 UTC - in response to Message 107022.  

Hello, these are from me. I thought I'd double check how things looked on the forums after submitting such a massive run.

This is part of a massive sampling of small cyclic peptides generated using some pretty cool tweaks to Alphafold 2. The term hallucinated refers to protein structures generated using this method: https://www.nature.com/articles/s41586-021-04184-w

These jobs are generating energy landscapes for structurally diverse cluster centers. I'm super excited about these results and really appreciate the incredible amount of computation available from Rosetta@home. The info we get from this will help us put together a massive set of peptide backbones for binder design projects in the future.

I hope to be submitting more... Assuming I'm not breaking any rules by monopolizing this resource.

Thank you all!

-Stephen
Thank you for taking the time to come in here and speak to us. We like to know more about the science our machines are running. And submit as much as you like, Rosetta has been pretty quiet for years. I'll stick my 10 machines on it right away.
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Sid Celery

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Message 107025 - Posted: 2 Oct 2022, 9:39:19 UTC - in response to Message 107023.  

I hope to be submitting more... Assuming I'm not breaking any rules by monopolizing this resource.
Nope.
Many of the systems that used to process Rosetta work have been moved to other projects due to the lack of Rosetta 4.20 work here for some time now. And due to the system requirements of Python Tasks, very few systems were capable of processing them, and because of issues with the application/ some Tasks many others that could have processed them chose not to because of the manual intervention often required to sort out those issues.

The more Rosetta 4.20 work there is, then the more people that will come to process it, and the sooner it will be returned.

And are running successfully, fully and with no errors on Intel, AMD and Android as well, which can't be said for everything.

However large the batch submitted, the appetite to run them is huge.
In past times, if the queue to run was even 4 times as large, there'd be concern the queue was running a little low
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Mr P Hucker
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Message 107026 - Posted: 2 Oct 2022, 9:43:07 UTC - in response to Message 107025.  

And are running successfully, fully and with no errors on Intel, AMD and Android as well, which can't be said for everything.
My 2 Androids (OS 7 and 11) are getting no tasks.
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Profile Greg_BE
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Message 107029 - Posted: 2 Oct 2022, 13:45:02 UTC - in response to Message 107022.  
Last modified: 2 Oct 2022, 13:45:26 UTC

Bring anything you want done on a pc here, I will be glad to help process them for you.
I take it these are complex models as they do not run as fast as the old stuff.
At an 1hr and 50 minutes run time CPU time is just over 30 minutes and CPU % usage is down in the 30's. Also a bit odd. Maybe my system?


Hello, these are from me. I thought I'd double check how things looked on the forums after submitting such a massive run.

This is part of a massive sampling of small cyclic peptides generated using some pretty cool tweaks to Alphafold 2. The term hallucinated refers to protein structures generated using this method: https://www.nature.com/articles/s41586-021-04184-w

These jobs are generating energy landscapes for structurally diverse cluster centers. I'm super excited about these results and really appreciate the incredible amount of computation available from Rosetta@home. The info we get from this will help us put together a massive set of peptide backbones for binder design projects in the future.

I hope to be submitting more... Assuming I'm not breaking any rules by monopolizing this resource.

Thank you all!

-Stephen
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Mr P Hucker
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Message 107030 - Posted: 2 Oct 2022, 14:01:41 UTC - in response to Message 107029.  
Last modified: 2 Oct 2022, 14:06:42 UTC

At an 1hr and 50 minutes run time CPU time is just over 30 minutes and CPU % usage is down in the 30's. Also a bit odd. Maybe my system?
Something is up with your system, all my 8 are running them at 100% CPU usage. Is your CPU doing other things? What's the total CPU usage?

Your previous Rosetta 4.20 tasks are showing the correct flops for your CPU.
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Message 107031 - Posted: 2 Oct 2022, 14:04:13 UTC - in response to Message 107030.  

My task manager showed that cpu was loaded 50% when voltage regulation module on my board was thermally throttled and dropped voltage and cpu frequency.
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Mr P Hucker
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Message 107032 - Posted: 2 Oct 2022, 14:07:38 UTC - in response to Message 107031.  

My task manager showed that cpu was loaded 50% when voltage regulation module on my board was thermally throttled and dropped voltage and cpu frequency.
I do not permit throttling, I add more fans! 7 of my 8 systems are in the garage and can make as much noise as they like!
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Sid Celery

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Message 107033 - Posted: 2 Oct 2022, 15:23:24 UTC - in response to Message 107026.  

And are running successfully, fully and with no errors on Intel, AMD and Android as well, which can't be said for everything.
My 2 Androids (OS 7 and 11) are getting no tasks.

I was sure I had a few earlier in the week, but my host isn't showing recent completions so you may be right
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Sid Celery

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Message 107034 - Posted: 2 Oct 2022, 15:29:45 UTC - in response to Message 107030.  
Last modified: 2 Oct 2022, 15:30:26 UTC

At an 1hr and 50 minutes run time CPU time is just over 30 minutes and CPU % usage is down in the 30's. Also a bit odd. Maybe my system?
Something is up with your system, all my 8 are running them at 100% CPU usage. Is your CPU doing other things? What's the total CPU usage?

Your previous Rosetta 4.20 tasks are showing the correct flops for your CPU.

Mine are all running 100%, but typically 5h 2m CPU time, 5h 25m elapsed time, but it's the PC I'm regularly using for all sorts of things.
A laptop I'm not using is at 5h 34m v 5h 43m
Maybe a little more drop-off than usual but nothing surprising or concerning
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Message boards : Number crunching : Problems and Technical Issues with Rosetta@home



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