Crash of spce/re tutorial
schererc opened this issue · comments
Recently I tested again the spce/re tutorial with different # of timesteps (in grompp.mdp) and equi_time settings (in settings.xml) and it always crashed (Heesian not positive definite). I remember it to work and don't find any big changes.
Could you please check whether the library to solve linalg_cholesky_solve is linked properly. In the past, I faced this issue when linking to gsl function failed during "re" update.
I tried again on different machines and it worked with the grompp.mdp file and the settings file of the tutorial and also when lowering the number of timesteps (as suggested in the instructions). I guess, it indeed was a linking error.