Hi, I have pasted the mdin content
---------------------------------------------------------------------------------------------
prodMD run
&cntrl
imin=0,irest=1,ntx=7,
ntb=2,pres0=1.0 ntp=1, taup=2.0,
cut=10.0, ntr=0,
ntc=2,ntf=1,
tempi=300.0,temp0=300.0,
nstlim=500000,dt=0.002,
ntpr=1000,ntwr=10000,ntwe=1000, ntwx=1000,
ntt=3, gamma_ln=2.0,
ig=-1,iwrap=1,ioutfm=1,
/
------------------------------------------------------------------------------------
On Sat, Feb 14, 2015 at 6:49 AM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi DKS,
>
> This most likely means there is a problem with what you are trying to
> simulate - likely you have clashing atoms, or bad parameters or something
> else that is causing things to blow up.
>
> I would suggest running with the CPU version to see what happens and then
> debug from there.
>
> It would also help to see your mdin file so we can confirm if that looks
> reasonable.
>
> All the best
> Ross
>
> > On Feb 13, 2015, at 10:38 PM, BERGY <nucleic81.gmail.com> wrote:
> >
> > Hi Amber-Users,
> > I 'm running amber14.
> > OS: I have Ubuntu 14.4 LTS
> > running pmemd.cuda and every time getting the following error message.
> > " cudaMemcpy GpuBuffer::Download failed an illegal memory access was
> > encountered"
> >
> > My card is
> > +------------------------------------------------------+
> >
> > | NVIDIA-SMI 340.29 Driver Version: 340.29
> > |
> >
> |-------------------------------+----------------------+----------------------+
> > | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
> > ECC |
> > | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util
> Compute
> > M. |
> >
> |===============================+======================+======================|
> > | 0 GeForce GTX 780 Off | 0000:01:00.0 N/A |
> > N/A |
> > |100% 94C P0 N/A / N/A | 924MiB / 3071MiB | N/A
> > Default |
> >
> +-------------------------------+----------------------+----------------------+
> > | 1 GeForce GTX 780 Off | 0000:02:00.0 N/A |
> > N/A |
> > | 36% 38C P8 N/A / N/A | 11MiB / 3071MiB | N/A
> > Default |
> >
> +-------------------------------+----------------------+----------------------+
> >
> >
> >
> +-----------------------------------------------------------------------------+
> > | Compute processes: GPU
> > Memory |
> > | GPU PID Process name
> > Usage |
> >
> |=============================================================================|
> > | 0 Not
> > Supported |
> > | 1 Not
> > Supported |
> >
> +-----------------------------------------------------------------------------+
> >
> >
> > Pls advise.
> >
> > Best
> > DKS
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Sat Feb 14 2015 - 10:00:02 PST
