Also, I would save all the output and restart to see if it reproduces,
unless you have a known-working valuable job to run. You can always kill
it if a reason arises, like at-will employment come to think of it.
Bill
On 11/5/18 12:08 AM, Bill Ross wrote:
> What GPU/CUDA version?
>
> Bill
>
>
> On 11/4/18 11:10 PM, M RCC wrote:
>> Dear Amber Users,
>> My aMD calculation stopped after 95ns, with the following error
>>
>> "*cudaMemcpy GpuBuffer::Download failed an illegal memory access was *
>> *encountered*"
>>
>> My simulation system contains protein 300aa + Inhibitor + 4 zinc atoms.
>> I used cationic dummy atom approach to fix the zinc atoms.
>>
>> while setting the threshold value for aMD, I have included all atoms
>> including zinc atoms.
>> for setting the dihedral threshold also I have counted zinc atoms as
>> residues since the dummy atom approach used.
>> Simulation stopped with this error. But there is no error description was
>> found in the log (.out) file.
>>
>> Is the error is due to the zinc atoms?
>>
>> How do I rectify this error?
>> _______________________________________________
>> 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 Mon Nov 05 2018 - 00:30:02 PST
