At this stage, it is essential to check that the program has compiled correctly. The makefile target test (i.e., command make test) will do this using the full suite of test jobs, and although this takes a significantly long time, it should always be done when porting for the first time. A much faster test, which checks the main routes through the program, can be done using make quicktest. For parallel installation, it is highly desirable to perform this validation with more than one running process. This can be done conveniently through the make command line as, for example,
make MOLPRO_OPTIONS=-n2 test
If any test jobs fail, the cause must be investigated. It may be helpful in such circumstances to compare the target platform with the lists of platforms on which MOLPRO is thought to function at http://www.tc.bham.ac.uk/molpro/machines.html. If, after due efforts to fix problems of a local origin, the problem cannot be resolved, the developers of MOLPRO would appreciate receiving a report. There is a web-based mechanism at http://www.tc.bham.ac.uk/molpro/bug at which as many details as possible should be filled in. make test produces a file of the form testjobs/report.*.tar.gz that contains some details of the MOLPRO installation, and the output files of the failing test jobs. You should normally attach this file to the bug report. Please note that the purpose of such bug reports is to help the developers improve the code, and not for providing advice on installation or running.
P.J. Knowles and H.-J. Werner