Re: Re: Re: [gmx-users] GPU-based workstation

2013-08-01 Thread Szilárd Páll
erties to the MB should I consider for such system ? >> >> James >> >> >> 2013/5/28 lloyd riggs >> >>> Dear Dr. Pali, >>> >>> Thank you, >>> >>> Stephan Watkins >>> >>> *Gesendet:* Dienstag, 28. Mai 2013 um

Re: Re: Re: [gmx-users] GPU-based workstation

2013-06-27 Thread James Starlight
kins >> >> *Gesendet:* Dienstag, 28. Mai 2013 um 19:50 Uhr >> *Von:* "Szilárd Páll" >> >> *An:* "Discussion list for GROMACS users" >> *Betreff:* Re: Re: [gmx-users] GPU-based workstation >> Dear all, >> >> As far as I un

Re: Re: Re: [gmx-users] GPU-based workstation

2013-05-28 Thread James Starlight
the MB should I consider for such system ? James 2013/5/28 lloyd riggs > Dear Dr. Pali, > > Thank you, > > Stephan Watkins > > *Gesendet:* Dienstag, 28. Mai 2013 um 19:50 Uhr > *Von:* "Szilárd Páll" > > *An:* "Discussion list for GROMACS users"

Aw: Re: Re: [gmx-users] GPU-based workstation

2013-05-28 Thread lloyd riggs
Dear Dr. Pali,   Thank you,   Stephan Watkins   Gesendet: Dienstag, 28. Mai 2013 um 19:50 Uhr Von: "Szilárd Páll" An: "Discussion list for GROMACS users" Betreff: Re: Re: [gmx-users] GPU-based workstation Dear all, As far as I understand, the OP is interested in h

Re: Re: [gmx-users] GPU-based workstation

2013-05-28 Thread Szilárd Páll
Dear all, As far as I understand, the OP is interested in hardware for *running* GROMACS 4.6 rather than developing code. or running LINPACK. To get best performance it is important to use a machine with hardware balanced for GROMACS' workloads. Too little GPU resources will result in CPU idling

Re: Re: Re: [gmx-users] GPU-based workstation

2013-05-27 Thread James Starlight
On Nvidia benchmarks I've found suggestions of using of the two 6 cores CPU for systems with the 2 GPU. Assuming that I'll be using two 680 GTX cards with 256 bits and 4gb ram (not a profesional nvidia cards like TESLA) what CPU's could give me the best performance- 1 i7 of 8 cores or 2 Xeons e5 w

Aw: Re: Re: [gmx-users] GPU-based workstation

2013-05-25 Thread lloyd riggs
  You can also look at profilling on varied web sites, the high end Nvidia run only slightly better than the 2 year old ones, from an individual point not worth the money yet, but if you have the money? as I've been browsing.   Also, the sim I did on the cluster was 180-190,000 atoms so the exac

Aw: Re: Re: [gmx-users] GPU-based workstation

2013-05-25 Thread lloyd riggs
  Id go for the i7 6 core,   To the other message, funny.  I bought ATI's as they clock faster and cost 1/3 the price of Nvidia's but then the software all went to Nvidia.  The new ATI with twice the shaders runs at the same speed (around 1-1.3 terflops ) due to the same problems the Nvidias ran