GROMACS version: 2021.4
GROMACS modification: No
Hi!
I have a personal PC with Ubuntu as the OS. I am trying to install GROMACS 2021.4. So far, I was able to successfully cmake using the following command:
cmake … -DGMX_HWLOC=ON -DGMX_EXTERNAL_BLAS=ON -DGMX_USE_LMFIT=internal -DGMX_PYTHON_PACKAGE=ON -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DGMXAPI=ON -DGMX_MPI=
ON -DMPI_C_COMPILER=mpicc -DGMX_BUILD_OWN_FFTW=ON
But then, when I’m running make -j 32, it gives me an error that says"
Error: symbol `fatbinData’ is already defined.
I’m not sure if this is the main error because somewhere before this, I’m getting a warning that says:
/home/icduay/programs/gromacs-2021.4/build-gromacs/src/external/build-fftw/fftwBuild-prefix/src/fftwBuild/tools/fftw-wisdom.c:303:54: warning: ‘%s’ directive output may be truncated writing up to 1535 bytes into a region of size 61 [-Wformat-truncation=]
Not sure if this is related.
Thanks!