OpenFMS

This is an open-source version of the original FMS90 code by Todd Martinez et al

Installation

To compile the code and run the test suite, the following sequence should work on a typical unix machine with GCC toolchain intalled.

./configure.sh
make -j
make unittest
make test

Note: The configure.sh script is very barebones, you might need to tweak the CONFIGFMS file that it generates.

In the default (zero) compilation target, only the analytical model potentials are available.

To compile with TeraChem interface, run:

./configure.sh tc

In this case, the compiler needs to be changed to mpifort using the MPI implementation that is matching the version that was used to compile TeraChem (typically MPICH or IntelMPI). To compile MPICH, we recommend using the included .github/install_mpich.sh script. Note that MPICH version >=4.0 is strongly encouraged as earlier versions contained bugs that were affecting the TeraChem interface.