Posts by Boca Raton Community HS

1) Message boards : Number crunching : LLM (Message 62391)
Posted 29 Apr 2025 by Boca Raton Community HS
Post:

an additional note. these tasks use vLLM as the framework for these tasks. this is a software package that GPUGRID does not control or maintain. this software does not support anything older than Volta architecture. these tasks are LLMs, so they require GPUs with tensor cores to operate on GPUs with this software, and anything older than Volta does not have tensor cores. so things like 1080Ti or other Pascal will not be supported.


If I am interpreting this correctly (and by looking at a failed task we attempted to run), this package is not included with the downloaded work unit? While analyzing the failure log, it timed out because it could not connect to huggingface.co which seems to host LLMs and such. Can this data not be included with the actual work unit?
2) Message boards : Frequently Asked Questions (FAQ) : Intel GPU's (Message 62205)
Posted 13 Feb 2025 by Boca Raton Community HS
Post:
Fair enough, was looking at Intel Battlemage, seems to be the best perf for the money at the moment, guess ill stick to Nvidia.


The B580 is pretty good for the price but just not for this work. If you plan to use it for other distributing computing projects, it can be good but make sure that there are applications implemented by the project that can use the Arc B series. They are few and far between right now.
3) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61406)
Posted 11 Mar 2024 by Boca Raton Community HS
Post:
There are not for this project (at this time).
4) Message boards : News : ATM (Message 61368)
Posted 4 Mar 2024 by Boca Raton Community HS
Post:

b) the task limit has also increased - up to four per card.



I can say that running 4x on the 4090 has pushed the GPU harder than any other work in the context of power utilization but are running really smoothly. I won't probably run 4x for too long though- pulls almost 400w(!) (never goes above 58c though).

My time estimations look like they are working on the systems I have checked today.

Edit: Time estimation is not accurate on all of our systems (yet).
5) Message boards : News : ATM (Message 61362)
Posted 3 Mar 2024 by Boca Raton Community HS
Post:
Gonna go out on a limb here and say a very high percentage of the computers that look for work units from you are Windows based. Why on earth would you design something for Linux first?


Very, very little in the world of computational science starts in Windows. You should see the world of genomics! Basically nothing can be accomplished in Windows.
6) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61261)
Posted 13 Feb 2024 by Boca Raton Community HS
Post:
bonjour,
quand les taches windows seront elles pretes pour essais?
franchement,Linux ,c'est pourri.
apres une mise a jour le lhc@home ne fonctionne plus.Je reste sous linux pour vous mais j'ai hate de repasser sous un bon vieux windows.
Merci


Good afternoon,
when will windows tasks be ready for testing?
Frankly, Linux is rotten.
after an update the lhc@home no longer works. I stay under linux for you but I hate to go back under a good old windows.
Thanks


Maybe try a different version. I have always used Windows (and still do on some systems) but use Linux Mint on others. Really user friendly and a very similar feel to Windows.
7) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61214)
Posted 8 Feb 2024 by Boca Raton Community HS
Post:
We have definitely noticed a sharp decrease in "errors" with these tasks. Steve (or anyone), can you offer some insight into the filenames? As example:


inputs_v3_ace_pch_ms_gc_filt_af05_index_263591_to_263591-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v4-0-1-RND5514_2

Are there two different references to version? I see a "_v3_" and then a "_v4-0-1".

Then, the app version: v1.04

I thought that "_v4-0-1" would equate to the app version, but it doesn't look like it does.

Thanks!
8) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61207)
Posted 7 Feb 2024 by Boca Raton Community HS
Post:
I am somewhat new to MPS and I understand the general concept, but what do you mean when you say it is set to 40%?


CUDA MPS has a setting called active thread percentage. It basically limits how many SMs of the GPU get used for each process. Without MPS, each process will call for all available SMs all the time, in separate contexts (MPS also shares a single context). I set that to 40%, so each task is only using 40% of the available SMs. With 3x running that’s slightly over provisioning the GPU, but it usually works well and runs faster than 3x without MPS. It also has the benefit of reducing VRAM use most of the time, but it doesn’t seem to limit these tasks much. The only caveat is that when you run low on work, the remaining one or two tasks won’t use all the GPU, instead using only the 40% and none of the rest of the idle GPU.



Thank you for the explanation!
9) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61202)
Posted 6 Feb 2024 by Boca Raton Community HS
Post:
pututu, have you had any failed tasks? Ian&Steve C. reports ~10% failure rate with 12GB so I am curious about 16GB. I am guessing this is about the minimum for error-free (related to memory limitations) processing of the current work.


been running all day across my 18x Titan Vs. the effective error rate is right around 5%. so 5% of the tasks needed more than 12GB. running only 1 task per GPU.

i rented an A100 40GB for the day. running 3x on this GPU with MPS set to 40%, it's done about 300 tasks and only 1 task failed from out of memory. highest spike i saw was 39GB, but usually stays around 20GB utilized



Wow, the A100 is powerful. I can't believe how fast it can chew through these (well, I can believe it, but it's still amazing). I am somewhat new to MPS and I understand the general concept, but what do you mean when you say it is set to 40%?
10) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61199)
Posted 5 Feb 2024 by Boca Raton Community HS
Post:


QChem gpu_usage set to 0.55
ATMbeta gpu_usage set to 0.44




We did this as well this morning for the 4090 GPUs since they have 24GB but with E@H work. To little VRAM to run QChem at 2x but too much compute power left on the table for running them at 1x.
11) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61198)
Posted 5 Feb 2024 by Boca Raton Community HS
Post:
pututu, have you had any failed tasks? Ian&Steve C. reports ~10% failure rate with 12GB so I am curious about 16GB. I am guessing this is about the minimum for error-free (related to memory limitations) processing of the current work.
12) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61180)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
Are you running them at 1x and with how much VRAM? Trying to get a feel for what the actual "cutoff" is for these tasks right now. I am still feeling 24GB VRAM is needed for the success running 1x and double that for 2x.

The GPU is an MSI 4070 Ti GAMING X SLIM with 12GB GDDR6X, run at 1x. Obviously sufficient for the latest batch to run flawlessly.



Thanks for the info. If you don't mind me asking- how many ran (in a row) without any errors?
13) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61177)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
sometimes more than 12GB as about 4% (16 out of 372) of my tasks failed all on GPUs with 12GB, all running at 1x only for the v3 batch. not sure how much VRAM is needed to be 100% successful. I did have one success that was a resend of one of your errors from a 4090 24GB. so i'm guessing you were running that one at 2x and got unlucky with two big tasks at the same time.


Correct- I was playing around with the two 4090 systems running these to make some comparisons. And you are also correct- it seems that even with 24GB, running 2x is still not really ideal. Those random, huge spikes seem to find each other when running 2x.
14) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61175)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
14 tasks of the latest batch completed successfully without any error.
Great progress!

Seems like credit has gone down from 150K to 15K.

Perhaps 150k was a little too generous. But 15k is not on par with other GPU projects. I expect there will be fairer credits again soon - with the next batch?


Are you running them at 1x and with how much VRAM? Trying to get a feel for what the actual "cutoff" is for these tasks right now. I am still feeling 24GB VRAM is needed for the success running 1x and double that for 2x.
15) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61172)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
Even that 16GB GPU had one failure with the new v3 batch

http://gpugrid.net/result.php?resultid=33802340



Based on the times of tasks, it looks like those were running at 1x?

16) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61167)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
Agreed- it seems that there are fewer spikes and most of them are in the 8-9GB range. A few higher but it seems less frequent? Difficult to quantify an actual difference since the work units can be so different. Is there a difference in VRAM usage or does the actual work unit just happen to need less VRAM?
17) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61162)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
New batch just come through- seeing the same VRAM spikes and patterns.
18) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61160)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
Boca,

How much VRAM do you see actually being used on some of these tasks? Mind watching a few? You’ll have to run a watch command to see continuous output of VRAM utilization since the usage isn’t constant. It spikes up and down. I’m just curious how much is actually needed. Most of the tasks I was running I would see spike up to about 8GB. But i assume the tasks that needed more just failed instead so I can’t know how much they are trying to use. Even though these Titan Vs are great DP performers they only have 12GB VRAM. Even most of the 16GB cards like V100 and P100 are seeing very high error rates.

MPS helps. But not enough with this current batch. I was getting good throughput with running 3x tasks at once on the batches last week.


This was wild...

For a single work unit:

Hovers around 3-4GB
Rises to 8-9GB
Spikes to ~11GB regularly.

Highest Spike (seen): 12.5GB
Highest Spike (estimated based on psensor): ~20GB. Additionally, Psensor caught a highest memory usage spike of 76% of the 48GB of the RTX A6000 for one work unit but I did not see when this happened or if it happened at all.

I graphically captured the VRAM memory usage for one work unit. I have no idea how to imbed images here. So, here is a Google Doc:

https://docs.google.com/document/d/1xpOpNJ93finciJQW7U07dMHOycSVlbYq9G6h0Xg7GtA/edit?usp=sharing

EDIT: I think they just purged these work units from the server?
19) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61149)
Posted 2 Feb 2024 by Boca Raton Community HS
Post:
that looks like a driver issue.

but something else I noticed is that these tasks for the most part are having a very high failure rate. 30-50% on most hosts.

there are a few hosts that have few or no errors however, and all of them are hosts with 24-48GB of VRAM. so it seems something like 30-50% of the tasks require more than 12-16GB.

I'm sure the project has a very large error percentage to sort through, as there arent enough 24-48GB GPUs to catch all the resends


This is 100% correct.

Our system with 2x RTX a6000 (48GB of VRAM) has had 500 valid results and no errors. They are running tasks at 2x and they seem to run really well (https://www.gpugrid.net/results.php?hostid=616410).

In one of our systems with 3x RTX a4500 GPUs (20GB), as soon as I changed running 2x of these tasks to 1x, the error rate greatly improved (https://www.gpugrid.net/results.php?hostid=616409). I made the change and have had 14 tasks in a row without errors.

When I am back in the classroom I think I will be changing anything equal to, or less than, 24GB to only run one task in order to improve the valid rate.

Has any tried running MPS with these tasks, and would it would make a difference in the allocation of resources to successfully run 2X? Just curious about thoughts.
20) Message boards : News : PYSCFbeta: Quantum chemistry calculations on GPU (Message 61137)
Posted 31 Jan 2024 by Boca Raton Community HS
Post:


Yeah you can see several out of memory errors. Are you running more than one at a time?

I’ve had many like this. And many that seem to just fall back to CPU without any reason and get stuck for a long time. I’ve been aborting them when I notice. But it is troublesome :(



I have been running 2x for these (I can't get them to run 3x or 4x via app config file but it doesn't look like there are any cued tasks waiting to start).

Good to know that others have seen this too! I have seen a MASSIVE reduction in time these tasks take today.


Next 20

©2026 Universitat Pompeu Fabra