Re: [gmx-users] Performance of beowulf cluster

2014-08-11 Thread Abhi Acharya
Thank you Dr. Szilard. This was really helpful. Incidentally, we eventually decided on a i7-4930K, so we got that right ;). As advised, we have now junked the idea of an ethernet cluster. We will be testing the GPU systems first, then we will decide on furthur course of action. Thanks again. Re

Re: [gmx-users] Performance of beowulf cluster

2014-08-11 Thread Szilárd Páll
On Tue, Aug 5, 2014 at 5:21 PM, Abhi Acharya wrote: > Thank you Mirco and Szilard, > With regards to the GPU system, I have decided on a Xeon E5-1650 v2 system > with GEForce GTX -780 Ti GPU for equilibration and production runs with > small systems. But for large systems or REMD simulations, I am

Re: [gmx-users] Performance of beowulf cluster

2014-08-05 Thread Abhi Acharya
Thank you Mirco and Szilard, With regards to the GPU system, I have decided on a Xeon E5-1650 v2 system with GEForce GTX -780 Ti GPU for equilibration and production runs with small systems. But for large systems or REMD simulations, I am a bit skeptical on banking on GPU systems. Any pointers as t

Re: [gmx-users] Performance of beowulf cluster

2014-08-05 Thread Szilárd Páll
Hi, You need fast network to parallelize across multiple nodes. 1 Gb ethernet won't work well and even even 10/40 Gb ethernet needs to be of good quality; you'd likely need to buy separate adapters, the on-board ones won't perform well. I posted some links to the list related to this a fed days ag

Re: [gmx-users] Performance of beowulf cluster

2014-08-05 Thread Mirco Wahab
On 05.08.2014 07:01, Abhishek Acharya wrote: I am planning on investing in a beowulf cluster with 6 nodes (48 cores) each with AMD Fx 8350 processor, 8 GB memory connected by 1 Gigabit Ethernet switch. Although I plan to add more cores to this cluster later on, what is the max performance exp

[gmx-users] Performance of beowulf cluster

2014-08-04 Thread Abhishek Acharya
Hello gromacs users, I am planning on investing in a beowulf cluster with 6 nodes (48 cores) each with AMD Fx 8350 processor, 8 GB memory connected by 1 Gigabit Ethernet switch. Although I plan to add more cores to this cluster later on, what is the max performance expected from the current spe