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CP2K should be kept in good shape during its development. Bugs that are fixed should stay fixed, features that are working should remain in this state. In order to do so, an automated tester downloads, builds, and tests CP2K after each new commit which changes the CP2K source code.


Correctness runs are parallel runs using a given configuration with full error checking on a PC architecture. Even though we strive to reach the above goal, the rapid development of CP2K does imply that not all features are working or passing the high standard of Fortran conformance we require during this testing. Failing tests are an indication of possible problems, but as yet still quite common. These reference results are not aimed to be used for porting/validating the code on different platforms. In this case you may easily expect to have several tests failing with a "WRONG RESULT" status. Anyway they can still be used to check if errors between the regtest and the reference are larger than a reasonable value, clearly identifying a problem with the compiler or the libraries. Usually an error of about 1.0E-8 or less is acceptable if (total) energies are compared. Larger errors can be tolerated for other quantities like NMR shifts (1.0E-5).

Latest CP2K source code

The most recent version of CP2K can be downloaded from here.

CP2K code status

Automated regtester name Configuration Number of tests Ok Wrong New Runtime fail Memory leaks Revision Timestamp
EPCC Hydra cluster, UKLinux-x86-64-intel-sopt29952992300Not tested182182018-01-19 00:05:52
EPCC Hydra cluster, UKLinux-x86-64-intel-popt30483045300Not tested182182018-01-19 00:04:57
EPCC Hydra cluster, UKLinux-x86-64-intel-ssmp29952992300Not tested182182018-01-19 00:09:07
EPCC Hydra cluster, UKLinux-x86-64-intel-psmp30483045300Not tested182182018-01-19 00:08:10
EPCC Hydra cluster, UKLinux-x86-64-intel-sdbg29951804201189Not tested182182018-01-19 00:01:53
Sheffield Iceberg cluster, UKiceberg-popt30393037200Not tested182182018-01-19 00:32:14
JuQueen BG/Q, FZJIBM-BGQ-MPI-popt30133013000Not tested182132018-01-18 08:24:38
EPCC MacPro, UKDarwin-IntelMacintosh-gfortran-sopt26362636000Not tested182212018-01-19 14:26:02
EPCC MacPro, UKDarwin-IntelMacintosh-gfortran-ssmp29772977000Not tested182212018-01-19 14:22:12

* - problem with automated regtester in the last run

Page last updated: 2018-01-19 16:42:07

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