[gmx-users] MPI-specific compile problem finding fftwf_plan_r2r_1d in libfftw3f.a -- undefined reference to `_intel_fast_memset'
chris.neale at alum.utoronto.ca
Thu Dec 21 23:28:09 CET 2017
I resolved the issue. I forget to use -DGMX_MPI=ON , though fixing that did not resolve the issue. The issue appears to be that the intel mpi compilers are not called mpicc and mpicxx so I was mixing things in a strange way that happened to cause problems with fftw loading.
The following script worked just fine to compile, where the key change was to remove -DCMAKE_C_COMPILER=mpicc and -DCMAKE_CXX_COMPILER=mpicxx
module load intel/17.0.4
module load cmake/3.9.0
module load intel-mpi/2017.1
mkdir -p $edir
cmake ../../../source/gromacs-5.1.2 \
make -j 8
make install -j 8
} > output.cn_compile 2>&1
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