There are plenty of kernels in Gromacs and it will be a tedious procedure to check them one by one and plenty of combinations to stay with simple non-regression. Moreover, devices of different vendor/type may have different issues.
A built-in unit-testing mechanism for the kernels and the device functions would simplify things, especially during the tuning process.
There are plenty of kernels in Gromacs and it will be a tedious procedure to check them one by one and plenty of combinations to stay with simple non-regression. Moreover, devices of different vendor/type may have different issues.
A built-in unit-testing mechanism for the kernels and the device functions would simplify things, especially during the tuning process.