Hi Ross and Scott,
>Nice! - Now just wait for the next version of AMBER running on two of
>those cards with peer to peer. :-)
I really wait for the new version ! :) Hope that there will be a great GPU scale! :)
>If you could possibly run the GB tests as well - TRPCage, Myoglobin and
>Nucleosome it would be really helpful - then I can put them on the website.
Ok, I have never tested GB and observed a significant difference between the numbers in mdinfo and output files for the first two tests. I provide info for both of them (mdinfo is the second one):
TRPCage = 833.11/ 745.41 ns/day
Myoglobin = 231.62 /222.63 ns/day
Nucleosome =3.99 / 3.99 ns /day
output file:
| Final Performance Info:
| -----------------------------------------------------
| Average timings for last 249000 steps:
| Elapsed(s) = 51.62 Per Step(ms) = 0.21
| ns/day = 833.48 seconds/ns = 103.66
|
| Average timings for all steps:
| Elapsed(s) = 51.85 Per Step(ms) = 0.21
| ns/day = 833.11 seconds/ns = 103.71
| -----------------------------------------------------
mdinfo:
------------------------------------------------------------------------------
| Current Timing Info
| -------------------
| Total steps : 250000 | Completed : 1000 | Remaining : 249000
|
| Average timings for last 1000 steps:
| Elapsed(s) = 0.23 Per Step(ms) = 0.23
| ns/day = 745.41 seconds/ns = 115.91
|
| Average timings for all steps:
| Elapsed(s) = 0.23 Per Step(ms) = 0.23
| ns/day = 745.41 seconds/ns = 115.91
|
|
| Estimated time remaining: 57.7 seconds.
------------------------------------------------------------------------------
On Friday, November 22, 2013 7:56 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
Nice! - Now just wait for the next version of AMBER running on two of
those cards with peer to peer. :-)
If you could possibly run the GB tests as well - TRPCage, Myoglobin and
Nucleosome it would be really helpful - then I can put them on the website.
Thanks for the info.
All the best
Ross
On 11/22/13 12:03 AM, "filip fratev" <filipfratev.yahoo.com> wrote:
>Hi all,
>Some benchmarks of EVGA GTX 780 Ti SC. PCI2.0, CPU 2600K, Cuda 5.0:
>
>DHFR NVE = 126.02 ns/day
>DHFR NPT = 97.24 ns/day
>
>Factor IX NVE =35.76 ns/day
>Factor IX NPT =28.62 ns/day
>
>Cellulose NVE = 8.43 ns/day
>Cellulose NPT = 6.85 ns/day
>
>Regards,
>Filip
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 22 2013 - 21:00:02 PST
