Hi gromacs users, Our lab decides to buy some exclusive computational resources for MD using gromacs. The HPC center in our university offers 2 options. I guess some of you are using K80 GPU right now so I'd like to hear your suggestions/experiences about it.
option 1 (Tesla K40): * Dual Intel Xeon E5-2680 v3, 12C, 2.5GHz, 2133MHz RAM, 120W * 128GB, DDR4-2133 ECC, 2R (8 x 16GB) * 256GB SSD, 2.5", SATA, 6Gbps, MLC * NVIDIA Tesla K40m * InfiniBand HCA, True Scale QLE7340, 1-port QSFP QDR memfree * dual power supply * 5-Year Warranty * 5-Year GPU Support $14,228.22 total option 2 (Tesla K80): * Dual Intel Xeon E5-2680 v3, 12C, 2.5GHz, 2133MHz RAM, 120W * 128GB, DDR4-2133 ECC, 2R (8 x 16GB) * 256GB SSD, 2.5", SATA, 6Gbps, MLC * NVIDIA Tesla K80m * InfiniBand HCA, True Scale QLE7340, 1-port QSFP QDR memfree * dual power supply * 5-Year Warranty * 5-Year GPU Support $15,524.18 total We are now running MD for systems with about 40000 atoms and getting 100ns/day performance using 2 K40 GPU. Will K80 GPU act like 2 K40 as advertised in the website (http://www.gromacs.org/)? Thank you! Ruan -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.