[gmx-users] no CUDA-capable device detected

[Szilárd Páll]

Hi Sebastian,

Are you sure that the NVIDIA driver works and is compatible with the
CUDA version you have? What does "nvidia-smi -L -a" output? Have you
tried running something, for instance an SDK sample?

Cheers,
--
Szilárd



2011/4/18 SebastianWaltz <sebastian.waltz at physik.uni-freiburg.de>:
> Dear gromacs user,
>
> I have some problems getting a simulation running on a tesla T10 with
> CUDA driver version 3.20 running.
> My .mdp file looks like:
>
> ;
> title                    = ttt
> cpp                    =  /lib/cpp
> include               = -I../top
> constraints         =  none
> ;define                =  -DPOSRES            ; for possition restraints
> integrator          =  md-vv            ; leap-frog integrator
> emtol               =  100.0             ; max-force to converge
> emstep              =  0.005            ; initial step size
> dt                  =  0.002            ; ps !
> nsteps              =  500000              ; total 2 ps
> nstcomm             =  5000            ; frequency for center of mass
> motion removal
>
> nstxout             =  500            ; frequency for writting the
> trajectory
> nstvout             =  500            ; frequency for writting the velocity
> nstfout             =  500            ; frequency to write forces to
> output trajectory
> nstlog              =  5000            ; frequency to write the log file
> nstenergy           =  5000
> nstxtcout           =  500            ; frequency to write energies to
> energy file
>
> nstlist             =  5            ; Frequency to update the neighbor list
> ns_type             =  grid            ; Make a grid in the box and only
> check atoms in neighboring grid cells when constructing a new neighbor
> rlist               =  1.2            ; cut-off distance for the
> short-range neighbor list
>
> coulombtype         =  PME            ; Fast Particle-Mesh Ewald
> electrostatics
> vdwtype            =  cut-off
> rcoulomb            =  1.2            ; cut-off distance for the coulomb
> field
> rvdw                =  1.2            ; cut-off distance for the vdw field
> fourierspacing      =  0.12            ; The maximum grid spacing for
> the FFT grid
> pme_order           =  4            ; Interpolation order for PME
> optimize_fft        =  yes
> pbc                =  xyz
>
> Tcoupl              =  andersen
> tc-grps             =  System
> tau_t               =  0.1
> ref_t               =  300
>
> energygrps          =  System
>
> Pcoupl              =  no
> tau_p               =  1
> compressibility     =  4.1e-5
> ref_p               =  1.0
>
> gen_vel             =  yes
> gen_temp            =  300
> gen_seed            =  171113
>
> I'm starting the simulation using the comand:
>
> mdrun-gpu -device "OpenMM:Platform=CUDA,DeviceID=0,Memtest=15,Force-device=yes" -deffnm GPU_test.tpr
>
> When I get the warning that OpenMM only works with the Andersen
> thermostat and so on, and stops with:
>
> Error getting CUDA device no CUDA-capable device detected.
>
> Every help is very welcome
>
> Sebastian
> --
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