[gmx-users] problem of compiling

Albert mailmd2011 at gmail.com
Tue Nov 3 11:30:46 CET 2015


Hello:

I am trying to compile Gromacs-5.0.7 with command:


CC=mpicc CXX=mpicxx F77=mpif90 FC=mpif90 LDF90=mpif90 
CMAKE_PREFIX_PATH=/home/albert/install/intel/mkl/include/fftw:/home/albert/install/intel/impi 
cmake .. -DBUILD_SHARED_LIB=OFF -DBUILD_TESTING=OFF 
-DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs/5.0.7 -DGMX_MPI=ON 
-DGMX_GPU=ON -DGMX_PREFER_STATIC_LIBS=ON 
-DCUDA_TOOLKIT_ROOT_DIR=/opt/common/cuda

but it failed with messages:

CMake Error at cmake/gmxTestSimd.cmake:244 (message):
   Cannot find AVX2 compiler flag.  Use a newer compiler, or choose AVX SIMD
   (slower).
Call Stack (most recent call first):
   CMakeLists.txt:729 (gmx_test_simd)


I am using gcc version 4.6.3 (Ubuntu/Linaro 4.6.3-1ubuntu5). Cmake 
version. 3.3.2

Does anybody have any idea?

Thx a lot



More information about the gromacs.org_gmx-users mailing list