We've compiled with 10.0 and 10.1 for RTS-2080Ti and had no such problems.
Not sure about the driver numbers. Can you try this: go into your config.h
and change "-gencode arch=compute_70,code=sm_70" to read _75 rather than
_70. I don't think that's the problem but give it a try.
Dave
On Tue, Jul 23, 2019 at 12:57 PM Giovanni Grazioso <
giovanni.grazioso.unimi.it> wrote:
> Il 23/07/19 18:36, David Cerutti ha scritto:
> > I'm not familiar with any problems specific to RTX-2080Ti like this. The
> > benchmark is failing, too? How are you running the benchmark, exactly?
>
> yes, I have run the runBenchmarks.sh.
>
> > Does the benchmark fail immediately, or after 60-90 seconds? (It should
> > take about three minutes to run.)
>
> The MD simulations of all systems in the test package were concluded
> without any problem, with benchamarks similar to the one reported on the
> website and after about 30 min.
>
> The problem was encountered when finally the "STMV_production_NPT_4fs"
> was investigated.
>
> The simulations started but at step 9000/10000 several **** appear in
> the mdout. Similar problems were found when the time_step is reduced to
> 2fs.
>
> In order to understand if there are structural defects on my
> GPU/workstation, I'd like to know which are the characteristics
> (compilers, Linux version, cudatoolkit version, and nVidia driver) of
> the workstation usually implementing RTX2080Ti for pmemd.cuda calculations.
>
> Thanks for you reply, Dave.
>
> Giovanni
>
>
> >
> > Dave
> >
> >
> > On Tue, Jul 23, 2019 at 8:56 AM Giovanni Grazioso <
> > giovanni.grazioso.unimi.it> wrote:
> >
> >> Dear Amber Users,
> >>
> >> I have some problems with RTX2080Ti/MSI on my workstation (Centos7,
> >> Cudatoolkit10.1, kernel3.10, nVidia driver 430.34, 32GB RAM,
> 4xIntel-i7).
> >>
> >> I have successfully compiled amber18/amber19tools/cuda by gnu compiler.
> >> Then, testing pmemd.cuda by the Amber18_BenchmarkSuite, when the
> >> "STMV_production_NPT_4fs" was simulated, this message appeared on the
> >> terminal:
> >>
> >> " Error: an illegal memory access was encountered launching kernel
> >> kScaleVelocities",
> >>
> >> the md0_mX.out is:
> >>
> >> | MC Barostat: Decreasing size of volume moves
> >> check COM velocity, temp: NaN NaN(Removed)
> >>
> >> NSTEP = 9000 TIME(PS) = 5157.003 TEMP(K) = NaN
> >> PRESS = 0.0
> >> Etot = NaN EKtot = NaN EPtot =
> >> **************
> >> BOND = 0.0000 ANGLE = 21082677.2413 DIHED =
> >> 0.0000
> >> 1-4 NB = ************** 1-4 EEL = ************** VDWAALS =
> >> -3595.1791
> >> EELEC = -19399252.5829 EHBOND = 0.0000 RESTRAINT
> >> = 0.0000
> >> EKCMT = 0.0000 VIRIAL = 0.0000 VOLUME =
> >> 11082169.1330
> >> Density
> >> = 1.0032
> >>
> >>
> >> Unfortunately, trying to perform NPT/MD on different systems (the ones
> >> of my interest), after 5 min of simulations (NPT_2fs) the calculations
> >> crash and the energy contributions in mdout looked as before.
> >>
> >> NVE calculations proceed normally (without any ***) but the run is
> >> blocked without any message in the terminal or in the mdout.
> >>
> >> By using GTX1080Ti, NVE and NPT calculations proceed without any
> >> problems. I've tried to use different version of cudatoolkit and nvidia
> >> driver but the problems remained.
> >>
> >>
> >> Can somebody suggest where the problem is?
> >>
> >> If someone uses RTX20280Ti, could specify which version of nVidia driver
> >> and cudatoolkit works correctly?
> >>
> >> Thanks in advance
> >>
> >> Giovanni
> >>
> >>
> >> --
> >>
> >>
> >>
> >>
> >>
> >> *****************************************************************
> >> Giovanni GRAZIOSO
> >> Associate Professor
> >> Dipartimento di Scienze Farmaceutiche - DISFARM
> >> Università degli Studi di Milano
> >> Via L. Mangiagalli 25 - 20133 Milano (Italy)
> >> Office: +039/02503-19352 - Lab: +039/02503-19351
> >> Fax: +039/02503-19359 - E-mail: giovanni.grazioso.unimi.it
> >> *****************************************************************
> >>
> >>
> >>
> >>
> >> _______________________________________________
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> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
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>
> --
>
>
>
>
>
> *****************************************************************
> Giovanni GRAZIOSO
> Associate Professor
> Dipartimento di Scienze Farmaceutiche - DISFARM
> Università degli Studi di Milano
> Via L. Mangiagalli 25 - 20133 Milano (Italy)
> Office: +039/02503-19352 - Lab: +039/02503-19351
> Fax: +039/02503-19359 - E-mail: giovanni.grazioso.unimi.it
> *****************************************************************
>
>
>
>
>
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Received on Tue Jul 23 2019 - 12:00:02 PDT
