Project

General

Profile

Bug #1476

Updated by Roland Schulz over 6 years ago

After change "a586b4168d35":https://gerrit.gromacs.org/#/c/3285 the nbnxn_vsite test failed with nstlist -nstlist 25 (default for GPU). This was fixed for 4.6 by regressiontest change "92d615e56929":https://gerrit.gromacs.org/#/c/3289. Two things are odd about this. When running the Gromacs version with the change but without the fix in the tests:
* - The output in md.log is "The maximum allowed number of cells is: X 3 Y 3 Z 2". But then "There is no domain decomposition for 2 nodes". So something is wrong about the log output.
* - It seems odd that we automatically change nstlist to a value which then causes an error. It seems it would make sense that we change nstlist at maximum as much, so that the requested number of nodes give a valid domain decomposition.

Back