GROMACS version:2021.2
GROMACS modification: Yes
Here post your question
My environment:
Windows 10 Version: 1607
Visual studio version: 2019
FFTW: 3.3.9
cmake: 3.21.2
CUDA: 11.2
Visual Studio has build options like “Debug” and “Release” options when building the C++ project. The “Debug” option doesn’t optimize the code, so its output binary is very slow. My PC has GPU but binary file by “Debug” mode can calculate only 23s per day.
However, I encountered following error only when I run the Release build of Visual Studio. Debug build didn’t return such errors.
46>C:\GROMACS\gromacs-2021.2\src\gromacs\simd\impl_x86_avx_512\impl_x86_avx_512_simd_float.h(194): fatal error C1001: Internal compiler error.
46>(compiler file 'd:\a01\_work\3\s\src\vctools\Compiler\Utc\src\p2\main.c', line 213)
Output by Release build (error occured):
Output by Debug build (error didn’t occured):
I have prepared the installation following the instruction below. I chose fftw option.
Source Code of Gromacs that I edited gmxManageNvccConfig.cmake in gromacs-2021.2\cmake as the instrction is uploaded to Google Drive. (Link is below.)
https://drive.google.com/drive/folders/1JaDc6AEmelEa3Q1QyWAa6FpEXTC_nOAc?usp=sharing
I’ve posted the exact same question in Visual Studio Community. If someone can infer any cause for this error I would appriciate it.