A..2.4 Compilation and linking

After configuration, the remainder of the installation is accomplished using the GNU make command. Remember that the default make on many systems will not work, and that it is essential to use GNU make (cf. section A.2.2). Everything needed to make a functioning program together with all ancillary files is carried out by default simply by issuing the command


in the MOLPRO base directory. Most of the standard options for GNU make can be used safely; in particular, -j can be used to speed up compilation on a parallel machine. The program can then be accessed by making sure the bin/ directory is included in the PATH and issuing the command molpro. If MPI library is used for building Global Arrays or building MOLPRO directly, please be aware that some MPI libraries use mpd daemons to launch parallel jobs. In this case, mpd daemons must already be running before make.

molpro@molpro.net 2020-04-18