Does it happen if you re-run? If so, do output files end in same places?
On 11/7/18 1:32 AM, M RCC wrote:
> Cuda Version is 7.5
>
> On Mon, Nov 5, 2018 at 12:40 PM M RCC <mkr3j2c1.gmail.com> 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?
>>
>>
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Received on Wed Nov 07 2018 - 02:00:02 PST
