It seems also they give a correct progress figure, not the usual 10%.
Tullio

It seems also they give a correct progress figure, not the usual 10%.
Tullio

Indeed progress is computed on the fraction of conformations computed.

Since I restarted QC, the QMML50 are running great. No memory or disk limits reached or exceeded. So far 32 in progress and 6 of 6 successful completions. They seem to do the 10% + 1.8% X 50 = 100%. Times so far are ranging a little less than 40 min to nearly two hours per WU with the longer completions on slower two thread at 2 GHz machines and the others running 4 threads at 4 GHz.

I mean, the larger problematic ones are obviously of more interest but I believe we should rethink the design of those large molecules and maybe try to break them down into their constituent components so that they don't take half a hard-drive to compute. It's not trivial but it seems like it's necessary if we want to keep running them on GPUGRID.
Thank you all in any case for hanging on through all the troubles of the large WUs.

Thank you all in any case for hanging on through all the troubles of the large WUs.

As long as we know you are working on it, we will work on it.

A few people could do the large ones; SSDs are cheap these days, though if you need 1000 crunchers on them, then I think you are right you will need to break them down.

I mean, the larger problematic ones are obviously of more interest but I believe we should rethink the design of those large molecules and maybe try to break them down into their constituent components

In case the larger ones are of more interest for you.. and therefore more valuable for science... I would be interested in them even so and upgrade my machines accordingly.

Maybe you could split QC into long and short runs like the GPU jobs? That would make it possible to choose.

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I would love to see HCF1 protein folding and interaction simulations to help my little boy... someday.

Maybe you could split QC into long and short runs like the GPU jobs? That would make it possible to choose.

+1

I mean, the larger problematic ones are obviously of more interest but I believe we should rethink the design of those large molecules and maybe try to break them down into their constituent components so that they don't take half a hard-drive to compute. It's not trivial but it seems like it's necessary if we want to keep running them on GPUGRID.
Thank you all in any case for hanging on through all the troubles of the large WUs.

Yes I would also be interested in helping with the larger ones. How large of an SSDs are we talking about? 1, 2, 4 Terabytes?

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Yes I would also be interested in helping with the larger ones. How large of an SSDs are we talking about? 1, 2, 4 Terabytes?

I like people who think big.

Well, not really SSD. HDD would be just fine. Right now scratch files are kept wherever BOINC's "slot" directory is (as expected from a well-behaved application).

Yes I would also be interested in helping with the larger ones. How large of an SSDs are we talking about? 1, 2, 4 Terabytes?

+1

Would a 2TB HDD be enough?

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I would love to see HCF1 protein folding and interaction simulations to help my little boy... someday.

Well, not really SSD. HDD would be just fine. Right now scratch files are kept wherever BOINC's "slot" directory is (as expected from a well-behaved application).

HDD cool. See amazon has a sale on WD Red 4TB NAS Hard Drive. Time to add onto the machine.

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Any SSD won't cut it. You'd need the expensive stuff with larger faster write buffers. Or use several HDDs (each on another connection, with several BOINC instances to spread the slots around). But really you should look into Optane, but it will cost a fortune.

The argument that QMML has little value is disturbing to me. Either there is scientific justification or not. And please stick with a plan. All these abrupt changes make me question the research goal. I like to feel involved too, but the community shouldn't get to change course.

Further I fear splitting the project will just further complicate things for everyone.

And please always communicate upfront how your tasks will impact the volunteer's systems (with TBW, conda requests and so on). Volunteers should not have to find out themselves.

Any SSD won't cut it. You'd need the expensive stuff with larger faster write buffers.

If you are referring to lifetime, I run three QC work units at a time (4 cores per WU) on an i7-8700. According to iostat, they are writing about 50 GB/day. That is not excessive; the SSD should last a normal lifetime.

As a matter of practice, I also use a write cache (12 GB size, 2 hour latency), though that is not really necessary to protect the SSD. But since I have 32 GB main memory, I like to use it.

On Oct. 17, Stephan wrote:

"The new ones won't really require any disk space because they are smaller molecules."

BTW, the requirement for having 57,220.46 MB of disk space for the CPU tasks is still in effect. Does it need to be?

We are up to 74 Linux users. But recent QC tasks run well on my two Linux boxen. The one with a GTX 750 Ti GPU board is also running a GPU task alongside a CPU task. All this on an Opteron 1210 of 2008 vintage. But this SUN workstation is still my main host.
Tullio

The one with a GTX 750 Ti GPU board is also running a GPU task alongside a CPU task.

I find that I can run a GTX 750 Ti without having to reserve a core for it on my i7-8700 without any noticeable affect on the QCs running on all 12 cores. It is the efficiency of CUDA, and the card shows only about 8 to 16% CPU core usage (or about 1% for the whole CPU).

It also works well for the i7-4770 machine when I use that, with somewhat higher CPU percentages. But it makes a great combination. And the 750 Ti gets all the work done in under 24 hours, while not expending much power.

So I have successfully installed and tested the new WD Red 4T NAS HDD into 2 of my computers. They are up are running again. So however the project decides to proceed with the larger molecules, I hope to be prepared.

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the project decides to proceed with the larger molecules, I hope to be prepared.

my hope is that some day, there will be a Windows version for the QC CPU tasks.