[gmx-users] gromacs 4.6.7 plumed -Segmentation fault
sokovic.anamarija at gmail.com
Thu Oct 22 18:06:07 CEST 2015
so is it ok to try this?
cmake ../ -DFFTWF_INCLUDE_DIR=/opt/fftw/126.96.36.199/abudhabi/include
-DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DGMX_DOUBLE=OFF
-DGMX_PREFER_STATIC_LIBS=ON -DGMX_GPU=OFF -DGMX_MPI=OFF
On Thu, Oct 22, 2015 at 11:03 AM, Mark Abraham <mark.j.abraham at gmail.com>
> Your blas and lapack were compiled with gfortran, but in a way that they
> require that one links further dependencies to use them later on. So
> compile them better, or use dynamic linking.
> But 99.9% of GROMACS users do not need to get involved with this, so just
> leave GMX_BLAS_USER and GMX_BLAS_LAPACK unset and GROMACS will use its
> internal versions.
More information about the gromacs.org_gmx-users