I will ask....
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 14, 2014, at 7:55 AM, Fabian Glaser <fglaser.technion.ac.il> wrote:
> 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
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sat Sep 13 2014 - 22:00:04 PDT
