Hi DKS,
This input looks good so I suspect there is something wrong with your starting structure - try some CPU runs and see if that gives errors or strange simulation artifacts.
All the best
Ross
> On Feb 14, 2015, at 9:43 AM, BERGY <nucleic81.gmail.com> wrote:
>
> 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
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Feb 14 2015 - 11:00:03 PST
