[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
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