Several tests fail

07-cholesky_serial.log

05-output.log

12-forces.log

30-local_multipoles.log

18-mgga.log

11-silicon_force.log

23-hybrids.log

OS: FreeBSD 13.1

changed the description

Dear Yuri,

from the log files, you included, it is difficult to judge what is going wrong. We would need more information, such as your Computer type (CPU, GPU, etc.) and also which version of Octopus you are referring to. It also would be good to have a look into the out and err files of the specific runs, which failed.

Some general remarks about the tests: In the testsuite, we compare the results to some reference values within a certain tolerance range. This range is determined from our test farm, which contains a number of architectures and compiler versions, and this tolerance range is quite tight. It easily happens on a different computer, that some values fall slightly out of this range. If this is the case, there is nothing to worry about, as you always have some rounding errors (in particular, when using any kind of parallelism).

Some of your runs, though, seem to indicate some other problems, e.g. the 05-output example, where is seems that some files have not been created. In these cases, it would be good to run the example directly and examine the output and error log of the runs.

Cheers, Martin

closed