[gmx-users] no CUDA-capable device detected
SebastianWaltz
sebastian.waltz at physik.uni-freiburg.de
Mon Apr 18 21:10:22 CEST 2011
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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