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 <[email protected]>: > 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 > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
