manual   quickstart   instguide   update   basis

Next: A..2.8 Installing the program Up: A..2 Installation from source Previous: A..2.6 Tuning   Contents   Index   PDF

A..2.7 Testing

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. 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 https://www.molpro.net/bugzilla at which as many details as possible should be filled in. It may also be helpful to attach a copy of the CONFIG file along with the failing output. 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.



Next: A..2.8 Installing the program Up: A..2 Installation from source Previous: A..2.6 Tuning   Contents   Index   PDF

manual   quickstart   instguide   update   basis

molpro@molpro.net 2018-04-20