[gmx-users] GPUs performance on Gromacs calculation

Ming Tang m21.tang at qut.edu.au
Thu May 12 08:25:52 CEST 2016

Dear experts,

I did SMD on 2 M2090 GPUs and 16 CPUs on one node. The simulation ran around 500 steps every 15 minutes.
However, the SMD simulation ran around 68000 steps using 96 CPUs without GPU.
Is this because the M2090 GPU type works badly on Gromacs?

Our Uni has the following types of GPU. Could anybody help to tell me which one is better for my SMD simulation?

*         4 x M2050 Nvidia Tesla GPUs
*         8 x M2090 Nvidia Tesla GPUs (2 per node)
*         12 x K40 Nvidia Tesla GPUs (2 per node)
*         8 x Intel Xeon Phi 5110P Co-processors (2 per node)
*         1 x Bitware S5-PCIe-HQ with Altera Stratix V FPGA

Thank you.

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