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alfredoq opened this issue Feb 5, 2022 · 3 comments
Open

void SetKernelsGpuData(GpuData*) error #180

alfredoq opened this issue Feb 5, 2022 · 3 comments

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@alfredoq
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alfredoq commented Feb 5, 2022

Dear All,

I succesfully compiled AutoDock GPU in a Debian system, but when trying to run an example:

./bin/autodock_gpu_128wi --lfile ./input/1stp/derived/1stp_ligand.pdbqt --ffile ./input/1stp/derived/1stp_protein.maps.fld

I am getting the following error:

AutoDock-GPU version: v1.5.3

Running 1 docking calculation

Cuda device: NVIDIA A10 (#1 / 3)
Available memory on device: 22506 MB (total: 22731 MB)

CUDA Setup time 0.252437s

Running Job #1
Using heuristics: (capped) number of evaluations set to 1132076
Local-search chosen method is: ADADELTA (ad)
SetKernelsGpuData copy to cData failed invalid device symbol
autodock_gpu_128wi: ./cuda/kernels.cu:130: void SetKernelsGpuData(GpuData*): Assertion `0' failed.
Aborted

Is this related to the GPU I am trying to use (A10) and specific compilation requirements, or is it anything else?

Thank you very much in advance for the support,

regards

Alfredo
@sisco0
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sisco0 commented Feb 6, 2022

Kindly take a look at issue #172 where other user had the same problem. This problem is referred firstly to the platform where the kernels are compiled to.

Could you check if the #172 solution solves your problem? Also, there is an active PR on CMake that could lead to a solution, you could try this afterwards.

@alfredoq
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alfredoq commented Feb 6, 2022

Dear Francisco,
Thank you very much for your reply. The issue you pointed out solved my problem.
Kind regards
Alfredo

@sisco0
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sisco0 commented Feb 7, 2022

The current issue status could be changed to Closed, as a solution was already provided in a related issue. Also, the related solution has been marked to be working as expected for the current issue.

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@alfredoq @sisco0