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New Gromacs core for Mac

bousozoku

bousozoku

Moderator emeritus
Original poster
Jun 25, 2002
16,598
2,949
Lard
There is a new folding@home Gromacs core that will be generally available next week.

It is enhanced for all machines and I'm sure you'll be impressed with the results, especially on G3s. Currently, it's only taking 37 percent of the time to process a work unit on my dual G4/800. 83 minutes per percent became 33. :)

Anyway, you can download it, earlier than would happen automatically, by removing FahCore_78.exe from the usual directory.
 
Thats AWESOME, this should REALLY boost our team when everyone gets the new core. I'm going to upgrade right now, it seams like you just quit folding, delete the FAH_CORE78, and start up again.

EDIT : It has more than doubled my speed!!!
 
so what would happen if you don't delete the 78 core now? Would it still download the new one next week?
 
Originally posted by chibianh
so what would happen if you don't delete the 78 core now? Would it still download the new one next week?
Click to expand...
Yes, if not when you get a new unit, but most likely next week.

This has improved my production by a lot.

Anyone with a mac, get this, it kicks.
 
There is G5 compatibility, as well as much improved performance for G4s and G3s.
 
I didn't know they used gromacs for your guys folding software. I am more familar with the app from molecular dynamics(MD) . We use gromacs for MD simulations at where I work(all mac by the way). What is this new update you guys are talking about. I know that there is a mac beta that we are using, and that these is a new beta tuned for the G5. Maybe this update you guys are talking about is based of the beta? Could you guys explain this folding program?
 
Originally posted by stoid
I have the 65 core, will it upgrade my core to 78??
Click to expand...

Yes and No. There are 2 types of units, Tinker and Gromacs. The 65 core is for tinkers (what your using now), when you finish the work unit your on, you will most likely get a new Gromacs core (78). You have no choice but to finish your tinker unit, and your next unit should be about 3-4 times as fast if its gromacs.
 
Originally posted by csubear
I didn't know they used gromacs for your guys folding software. I am more familar with the app from molecular dynamics(MD) . We use gromacs for MD simulations at where I work(all mac by the way). What is this new update you guys are talking about. I know that there is a mac beta that we are using, and that these is a new beta tuned for the G5. Maybe this update you guys are talking about is based of the beta? Could you guys explain this folding program?
Click to expand...

Stanford University has a distributed application which attempts to simulate protein folding. They have been working with Gromacs for nearly two years and have been using it to speed the simulations. I doubt that they've used the beta of which you speak, but of course, it's possible. It's more likely given the timeframe that they've simply taken the new wrapper code which utilises Gromacs and re-compiled the whole thing with gcc 3.3 for G5 compatibility.
 
you are are most likly right about the beta . I am sure that they have just recomplied it with gcc 3.3 . It is a shame though. We are using the gromacs 3.1.5 beta for a while now and it is very nice. All the inner loops are compiled with altivec code, and that makes gromacs scream on our G4's. I relly want to see what it will do with a G5.
 
Originally posted by Powerbook G5
I deleted 65 but instead of getting 78, it just re-downloaded 65 again.
Click to expand...

Yes, of course. Tinker work units use FahCore_65.exe, not FahCore_78.exe, which is reserved for Gromacs work units.

When you receive your next Gromacs work unit, it will most likely download a new version of FahCore_78.exe for your folding pleasure.
 
Re: So should G5's use Gromacs now?

Originally posted by nw_mike
Also, what determines what cores get downloaded? Right now my G5 is running 2 x FahCore_65.exe?
Click to expand...
a protein is downloaded that best matches your processor type and speed.

according to the protein that is chosen, you get a certain core.

TINKER = core65
GROMACS = core78
 
Re: So should G5's use Gromacs now?

Originally posted by nw_mike
According to discussions over at http://forum.folding-community.org/ They recommended not using Gromacs/(Altivec) enhanced core. So can we now?
...
TIA

G5
Click to expand...

It wasn't a recommendation on the G5, it was an impossibility to complete a Gromacs work unit using a G5. Now, it's possible.
 
Now that I've completed 3 Gromacs WUs with the new core being at least partially responsible for quick turnaround, they've given me Tinker WUs all round.

Is this a Wintel conspiracy? :D
 
I always get stuck with the tinker WUs, it's really annoying. It just sucks that Folding is sooooo slow on Macs, I wish they had a better client for OS X.
 
Originally posted by Powerbook G5
I always get stuck with the tinker WUs, it's really annoying. It just sucks that Folding is sooooo slow on Macs, I wish they had a better client for OS X.
Click to expand...

Well, the Tinker core could have been written better, but it's mostly because the G3 and G4 stink at floating point numbers, that Tinker WUs go so slowly. :(

IBM does not go for that and clock for clock, the latest G3 processors have better floating point capabilities than the G4.

When you get a Gromacs WU, you'll see how much better that core is. :)
 
I have asked them repeatedly to re-compile the Tinker core with newer tools. I didn't ask them to change it in any other way.

I'm not sure whether they used a FORTRAN compiler, of which there are few on Mac OS X, or converted the code to C. If it's the latter method, they could re-compile it with the latest C compiler and find better efficiency. It should be worth a couple of hours work.
 
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