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-- Jason M. Swails > On Jul 27, 2018, at 7:12 PM, Roitberg,Adrian E <roitberg.ufl.edu> wrote: > > According to the official amber benchmark, a GTX 980 will give you 256 ns/day for myoglobin with roughly 2500 atoms and a time of 2fs. > > So, it basically impossible that were doing 500 ns/day with 4000 atoms in a gtx980. > > Are you sure it was the same molecular system? > > On Jul 27, 2018 7:02 PM, Parviz Seifpanahi Shabane <sparviz.vt.edu> wrote: > No system software upgrades and there is not any other job running on this > GPU!!! > >> On Fri, Jul 27, 2018 at 5:10 PM, Bill Ross <ross.cgl.ucsf.edu> wrote: >> >> And per David, do you e.g. >> >> $ watch -n 0.5 nvidia-smi >> >> >>> On 7/27/18 2:05 PM, Supriyo Bhattacharya wrote: >>> Also, do a nvidia-smi and check what other processes might be running >> on the gpu to slow down the MD. >>> On Friday, July 27, 2018, 1:35:06 PM PDT, Bill Ross < >> ross.cgl.ucsf.edu> wrote: >>> >>> How long ago did you last get the better results? What software has >>> changed, particularly drivers? What OS? >>> >>> Bill >>> >>> >>>> On 7/27/18 1:15 PM, Parviz Seifpanahi Shabane wrote: >>>> Dear AMBER user, >>>> >>>> I am running a simulation on 1 GPU (GTX980), with almost 4000 atmos with >>>> using implicit water (igb=8) and no cutoff (cut=999). everything works >> but >>>> the problem is it is very slow (72 ns/day !!!) I used to get 500 ns/day >>>> for the almost same system on the same GPU. Any idea? >>>> Best >>> >>> _______________________________________________ >>> AMBER mailing list >>> AMBER.ambermd.org >>> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=JAg-KQEjdZeg_E8PHDDoaw&m=-JY1laIUU_MXDlA3voqr97QWv3ZW_MJ5gxlLyR_4ua4&s=n9s66iLUogTqEtTBLiysPHFKN69qcp5f0ibVtr7mbsc&e= >>> >>> _______________________________________________ >>> AMBER mailing list >>> AMBER.ambermd.org >>> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=JAg-KQEjdZeg_E8PHDDoaw&m=-JY1laIUU_MXDlA3voqr97QWv3ZW_MJ5gxlLyR_4ua4&s=n9s66iLUogTqEtTBLiysPHFKN69qcp5f0ibVtr7mbsc&e= >>> >>> >> >> >> _______________________________________________ >> AMBER mailing list >> AMBER.ambermd.org >> https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=JAg-KQEjdZeg_E8PHDDoaw&m=-JY1laIUU_MXDlA3voqr97QWv3ZW_MJ5gxlLyR_4ua4&s=n9s66iLUogTqEtTBLiysPHFKN69qcp5f0ibVtr7mbsc&e= >> > > > > -- > Parviz Seifpanahi > Ph.D. Candidate > Department of Physics > Virginia Tech, Blacksburg, Va 24061 > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=JAg-KQEjdZeg_E8PHDDoaw&m=-JY1laIUU_MXDlA3voqr97QWv3ZW_MJ5gxlLyR_4ua4&s=n9s66iLUogTqEtTBLiysPHFKN69qcp5f0ibVtr7mbsc&e= > > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Wed Aug 01 2018 - 14:30:05 PDT