[gmx-developers] a modify about a nvcc fatal error duirng installing gromacs 2021

fengqingxue9 at sina.com fengqingxue9 at sina.com
Sun Jun 6 16:17:09 CEST 2021

Dear Sir or Madam:  I found a fatal error when I installed gromacs 2021.2 in Win 10 (x64) with cuda 11.0, Cmake 3.20 and Visual Studio 2019. During building process, an error "nvcc fatal unkonwn options "-std:c++17" " appeared and then the building stopped. I think nvcc could not accept the flag command "-std:c++17", the acceptable conmmand maybe "-std=c++17".  I opened the "gmxManageNvccConfig.cmake" in "cmake" folder of gromacs and found the command below :              list(APPEND
GMX_CUDA_NVCC_FLAGS "${CMAKE_CXX17_STANDARD_COMPILE_OPTION}")   I changed this command as follows and found the error disappeared duing building and the installed gromacs could pass regression' essential test (using regressiontests-2021.2)          list(APPEND GMX_CUDA_NVCC_FLAGS "-std=c++17")  I am a new user of groamcs, so I am not sure whether my modify above will have negetive influece on gromacs. I think our members may have better methods to correct this error.   Additonally, I think earlier version 2021.1 and 2021 may also has similar error and the error did not appear when 2020.6 was used to test.   Thank you very much for your attention.  Sincerely yours  Dr. Sun Shuai     
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