Hi,
This looks like a problem addressed by bugfix.11.
I have not been following your threads closely,
but i read that you were having problems with the bugfixes.
You might inspect the files listed in bugfix.11 to determine
whether the bugfixes were really applied, while you are waiting
for someone that as been following your threads closely to reply.
scott
On Tue, Jul 26, 2011 at 12:44:10AM -0300, Fabrício Bracht wrote:
> Since I finally was able to compile amber11 with cuda support on my
> for my gtx460, I thought everything was fine, but it seems that now I
> have to set a few things in order to get my system running again. Let
> me explain more.
> I was simulating a protein inside a micele. I had a few tens of
> nanoseconds simulated on a gtx275. The system is comprised of water,
> organic solvent, surfactant, counterions and my protein (aprox. 60000
> atoms). When I tried to start a simulation using my restart files from
> the GTX275 on my gtx460 machine, I got the following error.
> Error: unspecified launch failure launching kernel kReduceSoluteCOM
> cudaFree GpuBuffer::Deallocate failed unspecified launch failure
>
> I thought it might have something to do with a problem in the restart
> file or something like this, so I recreated the inpcrd and prmtop
> files for the last configuration and tried to start a new fresh one in
> my gtx460 machine. Well, it didn't work out. I got the same error
> lines again.
> Here is my configuration file.
> MD parameters
> &cntrl
> imin = 0,
> irest = 1,
> ntx = 7,
> ntb = 2, pres0 = 1.0, ntp = 1, taup = 2.0,
> cut = 9.0,
> ntr = 1,
> ntc = 2,
> ntf = 2,
> tempi = 300.0,
> temp0 = 300.0,
> ntt = 3,
> gamma_ln = 1.0,
> nstlim = 5000000, dt = 0.002,
> ntpr = 10000, ntwx = 10000, ntwr = 1000
> /
> Restraints
> 5.0
> RES 1 317
> END
> END
>
> And here is the command line:
> pmemd.cuda -O -i md.in -c micel2.3.inpcrd -p micel2.3.prmtop -r
> md3.rst -o md3.out -ref micela2.3.inpcrd -inf md3.info -x md3.mdcrd
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Received on Mon Jul 25 2011 - 23:30:02 PDT
