ADL: VINA OpenCL support

Engin Butun engin.butun at servercube.com
Tue Apr 7 13:17:30 PDT 2020


Many thanks for the response. I wonder if Vina could use the autodock 4.2 scoring version?

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Engin BÜTÜN
www.servercube.io
+905327818875

> On 7 Apr 2020, at 23:13, Diogo Martins <diogo.stmart at gmail.com> wrote:
> 
> Hello,
> 
> For the moment, only the autodock4.2 scoring function is implemented in the
> opencl version of autodock:
> 
> https://github.com/ccsb-scripps/AutoDock-GPU
> 
> Best regards,
> 
>> On Tue, Apr 7, 2020, 7:37 AM Engin Butun <engin.butun at servercube.com> wrote:
>> 
>> Hello All,
>> 
>> I would like to use multiple AMD GPUs on VINA with OpenCL. Kindly any
>> sugesstion how to sort this out with Ubuntu ? i already activaed OpenCL for
>> Gromacs but could not find any resource about AutoDock Vina.
>> 
>> Thanks in advance
>> 
>> 
>> --
>> 
>> Engin Butun
>> Senior Regional Technical Manager
>> engin.butun at servercube.com<mailto:engin.butun at servercube.com>
>> +90-532-781-8875
>> +90-212-243-8265
>> https://servercube.io
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