[gmx-developers] GPU kernel code

[Mahmood Naderan]

Thanks Szilard,
I looked at that. It seems that it is a big GPU kernel and specific parts of it are executed using #ifdef macros and those are actually enabled whenever it is needed in nbnxn_cuda.cu.
However, the names are still vague for me. For example, I assume that the FUNC_NAME is something like ElecEw_VdwLJCombLB_F but grepping even *LJComb* shows no match.
Instead I see "#ifndef LJ_COMB". I would like to know which part of the kernel is used for ElecEw_VdwLJCombLB_F?


Regards,
Mahmood 

    On Thursday, April 25, 2019, 1:29:46 PM GMT+4:30, Szilárd Páll <pall.szilard at gmail.com> wrote:  
 
 Hi Mahmood,
The kernels are preprocessor-generated, including the kernel names (see NB_KERNEL_FUNC_NAME() macro); the common source code is in src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh.

Cheers,
--
Szilárd

On Wed, Apr 24, 2019 at 7:24 PM Mahmood <nt_mahmood at yahoo.com> wrote:

Hi,
How can I see the code of a GPU kernel named nbnxn_kernel_ElecEw_VdwLJCombLB_F_cuda?
That exists in src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu however, I can not find its implementation. 

Can someone help?


Regards,
Mahmood-- 
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