[gmx-users] How can Build gromacs using MSVC on Win64 with AVX2?

[Mark Abraham]

Hi,

Those are kernels for legacy code that never use such simd anywhere

Mark

On Thu., 12 Sep. 2019, 07:16 Tatsuro MATSUOKA, <tmacchant3 at yahoo.co.jp>
wrote:

> On GROMACS 2019.3, GROMACS cannot be built with AVX2.
>
> In gmxSimdFlags.cmake
>
>         SIMD_AVX2_C_FLAGS SIMD_AVX2_CXX_FLAGS
>         "${TOOLCHAIN_FLAG_FOR_AVX2}" "-mavx2" "/arch:AVX" "-hgnu") # no
> AVX2-specific flag for MSVC yet
>
> If I modify the above, "/arch:AVX" => "/arch:AVX" ,
>
> -- Performing Test C_mavx2_mfma_FLAG_ACCEPTED
> -- Performing Test C_mavx2_mfma_FLAG_ACCEPTED - Failed
> -- Performing Test C_mavx2_FLAG_ACCEPTED
> -- Performing Test C_mavx2_FLAG_ACCEPTED - Failed
> -- Performing Test C_arch_AVX2_FLAG_ACCEPTED
> -- Performing Test C_arch_AVX2_FLAG_ACCEPTED - Success
> -- Performing Test C_arch_AVX2_COMPILE_WORKS
> -- Performing Test C_arch_AVX2_COMPILE_WORKS - Success
> -- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED
> -- Performing Test CXX_mavx2_mfma_FLAG_ACCEPTED - Failed
> -- Performing Test CXX_mavx2_FLAG_ACCEPTED
> -- Performing Test CXX_mavx2_FLAG_ACCEPTED - Failed
> -- Performing Test CXX_arch_AVX2_FLAG_ACCEPTED
> -- Performing Test CXX_arch_AVX2_FLAG_ACCEPTED - Success
> -- Performing Test CXX_arch_AVX2_COMPILE_WORKS
> -- Performing Test CXX_arch_AVX2_COMPILE_WORKS - Success
> -- Enabling 256-bit AVX2 SIMD instructions using CXX flags:  /arch:AVX2
>
>
> But avx components
>
>          nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_single.cpp
>          nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_single.cpp
>          nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_single.cpp
>          nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_single.cpp
>          nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_single.cpp
>          nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_single.cpp
>          nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_single.cpp
> are complied.
>
> How can I compile "avx2_256" files?
>
> Tatsuro
>
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