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Gromacs Info Thread

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FoldingAddict said:
What proteins are you guys doing? 12 minutes per frame on what?

DE_NOVO_protein_in_water


hey guys with all the times mentioned in this thread i am adding them at the bottom of the first post so they will all be in one place for reference. :)

FOLD ON
NAS
 
I am totally retarted i thought this was a G@H protein or something (3rd day of folding forgive me) so i stopped the one i was working on to go work on a villin. Well seeing as its worth 5 points i'll start it back up again.

[email protected] (Sorry guys cant go higher im a sucker for cheap ram, let that be a lesson) So anyways [email protected] takes me on average over 10 frames or percentages whatever you want to call them takes just over 8 minutes (8 min 3 seconds).

-OpenFriday
 
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OpenFriday said:
I am totally retarted i thought this was a G@H protein or something (3rd day of folding forgive me) so i stopped the one i was working on to go work on a villin. Well seeing as its worth 10 points i'll start it back up again.

[email protected] (Sorry guys cant go higher im a sucker for cheap ram, let that be a lesson) So anyways [email protected] takes me on average over 10 frames or percentages whatever you want to call them takes just over 8 minutes (8 min 3 seconds).

-OpenFriday

sorry about that.. i put 10. they are worth 5 pts, still very high and they have a good ppd ratio.
 
10 points 5 points dosent matter to me, but i just ecountered a problem after finishing my 21st frame, just said "Instability encountered" or something to that effect stopped the De NOVO and started up a villin. Can anyone tell me why it stopped?
 
OpenFriday said:
10 points 5 points dosent matter to me, but i just ecountered a problem after finishing my 21st frame, just said "Instability encountered" or something to that effect stopped the De NOVO and started up a villin. Can anyone tell me why it stopped?

hmm... what OS are you using??


everyone:
1.9.2 on EM3 is out and is supposed to be better with tracking these.

FOLD ON
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OpenFriday said:


XP, if that helps?

if you had mandrake it would, because it is having a bit of a problem with these :)

but since it is XP it is very odd, they only suggestion i have is to post it at the community boards for Vijay to see. sorry i can't be of any more help :(

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Oh not a problem thanks for the assistance youve givin me. I'll let you know what transpires. I hope i didnt lose the 21 frames i did for DE novo though. Thatd be a waste.
 
OpenFriday said:
10 points 5 points dosent matter to me, but i just ecountered a problem after finishing my 21st frame, just said "Instability encountered" or something to that effect stopped the De NOVO and started up a villin. Can anyone tell me why it stopped?
I had the exact same problem at 35% on a Tbird at 1580. It shut it down and sent the work back for evaluation. The villin ( it gave me one too) is probably issued because the system is considered unsuitable for that unit. I think it might be a reaction to the overclock as this happens to me with tinker proteins when I clock too high. There should be some info at the community site by tomorrow explaining what happened.:beer: :burn:
 
Ah man! Look at this. I can't figure out why my PII is doing so bad. In the time it takes my PII to do 1% of a Protein in water, it could have done 2% of a P146.:(
 
That was pretty much what i was thinking JetMech, Instability....ohh its gotta be this little overclock. Next time if i get a DE NOVO i'll set it to its original specs and see what happens. A guy on the community site said its probably not my fault but sounds like it is. Glad to hear im not the only one Jet.

Just in the responce from the site

"thanks for your post. We'll take a look. It's normal for a certain fraction to be unstable, easily say 0.1% or so. Unfortuantely, since we do so many WUs with so many people, it's not unusual for any one person to see one or two.

I've passed this along to G who's working on the Gro core and he'llt ake a look.

Thanks, "
 
FoldingAddict said:
Ah man! Look at this. I can't figure out why my PII is doing so bad. In the time it takes my PII to do 1% of a Protein in water, it could have done 2% of a P146.:(

not doing "bad" persay. doing as good as it can, the problem is that the core is optomized for SSE. the imprtant thing to remember is that these proteins and their times are really not comparable to the ones done with the tinker core since the code is vastly different. :D

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NASsoccer said:


not doing "bad" persay. doing as good as it can, the problem is that the core is optomized for SSE. the imprtant thing to remember is that these proteins and their times are really not comparable to the ones done with the tinker core since the code is vastly different. :D

FOLD ON
NAS

Yes your right. But I wasn't planning on such a speed hit from these work units. I guess you should update your list to 2 hours instead of 90 minutes.
 
OpenFriday said:
That was pretty much what i was thinking JetMech, Instability....ohh its gotta be this little overclock. Next time if i get a DE NOVO i'll set it to its original specs and see what happens. A guy on the community site said its probably not my fault but sounds like it is. Glad to hear im not the only one Jet.

Just in the responce from the site

"thanks for your post. We'll take a look. It's normal for a certain fraction to be unstable, easily say 0.1% or so. Unfortuantely, since we do so many WUs with so many people, it's not unusual for any one person to see one or two.

I've passed this along to G who's working on the Gro core and he'llt ake a look.

Thanks, "

looked around and found people on OCAU and icrontic and [h] have had to back down overclocks when dealing with Gromacs WU's. it has also been said that gromacs might even heat up the proc more than tinker units, don't know if that is true or not though...

Guha will surely know though... hopefully :D

originally posted by FoldingAddict
Yes your right. But I wasn't planning on such a speed hit from these work units. I guess you should update your list to 2 hours instead of 90 minutes.

yeah, it is hitting the p2s very hard. bollacks from OCAU really had a problem with his on his p2. will update the times..



FOLD ON
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De Novo in Water

XP @ 1670 - 5:55/ frame

Will get EM3 1.92 (have 1.91) and will also clock my XP back up to 1785 and report back next time I get one of these.
 
[21:31:08] Protein: DE NOVO PROTEIN in water
[21:31:09] Writing local files
[21:31:10] Writing local files
[21:31:10] Completed 0 out of 1200000 steps (0%)
[21:47:24] Writing local files
[21:47:24] Completed 12000 out of 1200000 steps (1%)
[22:03:39] Writing local files
[22:03:39] Completed 24000 out of 1200000 steps (2%)
[22:20:00] Writing local files
[22:20:00] Completed 36000 out of 1200000 steps (3%)

good for a duron 900? lol
 
found this over at OCAU:

Its true Gromacs is quicker!

just looked at EM3 grab on things.
De Novo protein in water (Gromacs core)
370 odd secs per frame total time est 10hrs 11 mins.

Protein A 470 odd secs per frame total time 13 hrs and 3 minutes.

They are both worth 5 points!

Also this was done on the same boxen AMD XP @ 1610MHZ.

Interesting comparo eh?

Cheers Teddy


the thread this was taken from THIS THREAD and an interesting thread at that!

don't forget to post anytimes if you have some more:)

FOLD ON
NAS
 
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