Hi Ross,
Thanks for the fast replay. I should mention that i have encountered
this error several times now. The current one is a restart run of an
equilibration that run just fine also on GPU with the same condition of
constant pressure .
Thanks a lot,
Arik
On 8/11/2011 3:12 PM, Ross Walker wrote:
> Hi Arik,
>
> Please send you input files. I suspect the bug is NPT + restraints which is
> fixed in our development tree. Just waiting some final testing before
> release.
>
> For now you can run NVT and you should be fine.
>
> All the best
> Ross
>
>> -----Original Message-----
>> From: arikcohen [mailto:arikcohen.ucla.edu]
>> Sent: Thursday, August 11, 2011 3:05 PM
>> To: AMBER Mailing List
>> Subject: Re: [AMBER] unspecified launch failure launching kernel
>> kCalculateMolecularVirial
>>
>> No. just a regular enzyme-substrate calculation.
>>
>> Arik
>>
>> On 8/11/2011 3:03 PM, Scott Le Grand wrote:
>>> Organic solvent or lipid bilayer simulation by any chance?
>>> On Aug 11, 2011 2:59 PM, "arikcohen"<arikcohen.ucla.edu> wrote:
>>>> Dear Users,
>>>>
>>>> While running on a GPU cluster I encountering from time time the
>>>> following persistent error:
>>>>
>>>> *unspecified launch failure launching kernel
>> kCalculateMolecularVirial*
>>>> I would be most thankful for any help/suggestion you might have.
>>>>
>>>> Thanks,
>>>>
>>>> Arik
>>>>
>>>>
>>>>
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Received on Thu Aug 11 2011 - 15:30:05 PDT
