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cluster:172 [2018/08/23 14:27] hmeij07 [Gromacs] |
cluster:172 [2018/08/23 14:42] hmeij07 [Gromacs] |
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Download and extract source. Using same environment as Amber compilation. | Download and extract source. Using same environment as Amber compilation. | ||
+ | |||
+ | < | ||
+ | |||
+ | cd gromacs-2018/ | ||
+ | mkdir build | ||
+ | cd build | ||
+ | |||
+ | which mpicc mpicxx | ||
+ | / | ||
+ | / | ||
+ | |||
+ | | ||
+ | / | ||
+ | -DCMAKE_INSTALL_PREFIX=/ | ||
+ | -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=ON | ||
+ | | ||
+ | | ||
+ | |||
+ | </ | ||
==== Lammps ==== | ==== Lammps ==== | ||