[gmx-users] why Blue Gene/Q is so slow?

2012-07-17 Thread DeChang Li
Dear all, I am running a 9000 atom system with GBSA (Gromacs 4.5.5) in a Blue Gene/Q cluster. I got the speed 1.002 ns/day with 8 cores. However, in my own workstation with 8 cores the same system can reach nearly 10 ns/day (Intel(R) Xeon(R) CPU E5620 @ 2.40GHz). Can anyone tell me what's

Re: [gmx-users] why Blue Gene/Q is so slow?

2012-07-17 Thread Mark Abraham
On 17/07/2012 5:00 PM, DeChang Li wrote: Dear all, I am running a 9000 atom system with GBSA (Gromacs 4.5.5) in a Blue Gene/Q cluster. I got the speed 1.002 ns/day with 8 cores. However, in my own workstation with 8 cores the same system can reach nearly 10 ns/day (Intel(R) Xeon(R) CPU