At RWTH's claix18 a new module system has been introduced, therefore modules cannot be loaded in a single command anymore. Hence, module loading is switched to sequentially run "module load" commands over the array of modules. In addition, per default intel toolchains are loaded which conflict with the need of OpenMPI for xtb. Therefore, if the program is run on RWTH's claix18 the intel toolchain is unloaded before starting to load the modules. Changes have been made for both local and batch jobs.
At RWTH's claix18 a new module system has been introduced, therefore modules cannot be loaded in a single command anymore. Hence, module loading is switched to sequentially run "module load" commands over the array of modules. In addition, per default intel toolchains are loaded which conflict with the need of OpenMPI for xtb. Therefore, if the program is run on RWTH's claix18 the intel toolchain is unloaded before starting to load the modules. Changes have been made for both local and batch jobs.