Hi Jason,
Is there a specific driver's version which should be installed, or should it be the latest available and compatible with CUDA one?
Actually the download link for the driver would help a lot.
Thanks a lot,
Fabian
_______________________________
Fabian Glaser, PhD
Head of the Structural Bioinformatics section
Bioinformatics Knowledge Unit - BKU
The Lorry I. Lokey Interdisciplinary
Center for Life Sciences and Engineering
Technion - Israel Institute of Technology
Haifa 32000, ISRAEL
fglaser.technion.ac.il
Tel: +972 4 8293701
Fax: +972 4 8225153
On Sep 11, 2014, at 2:48 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, 2014-09-11 at 12:39 +0300, Fabian Glaser wrote:
>> Hi,
>>
>> I have recently compiled the amber12 cuda version, which works for minimizations and even for short dynamics equilibrations, but when trying to calculate production dynamics:
>>
>> # Production MD: Constant Volume, 2 ns each
>> &cntrl
>> ntx=5, irest=1,
>> iwrap=1,
>> ntxo=1, ntpr=1000, ntwx=500, ntwv=0, ntwe=0,
>> ntc=2, ntf=2,
>> ntb=1, cut=9.0,
>> ntt=3, temp0=300.0, gamma_ln=4.0,
>> nstlim=1000000, dt=0.002,
>> /
>>
>> I get the following error:
>>
>> -bash-4.1$ pmemd.cuda -O -i md.in -p RIT_6mol_h_wat.prmtop -c RIT_6mol_h_wat_eq5.rst -o RIT_6mol_h_wat_md1.out -x RIT_6mol_h_wat_md1.mdcrd -r RIT_6mol_h_wat_md1.rst
>>
>> cudaGetDeviceCount failed CUDA driver version is insufficient for CUDA runtime version
>
> This gives you the problem (which is not an Amber problem at all,
> actually). Your driver is too old for the CUDA runtime (cudart).
> Update your driver.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Received on Sat Sep 13 2014 - 22:00:03 PDT
