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?
Does the benchmark fail immediately, or after 60-90 seconds? (It should
take about three minutes to run.)
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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Received on Tue Jul 23 2019 - 10:00:02 PDT
