[gmx-users] Assistance needed running gromacs 4.6.3 on Blue Gene/P

[Bogdan Costescu]

Hi Prentice,

The subject and first phrase mention version 4.6.3, but all scripts
refer to 4.6.2. Are you sure you are not mixing versions ? Do you have
another 4.6.x version working already ?

>   -DCMAKE_C_FLAGS="-O3 -qarch=450d -qtune=450" \

Could you try with a lower optimization level ?

> <Aug 06 17:25:55.303940> BE_MPI (ERROR):   "killed with signal 6"

What is signal 6 on this platform ?

Cheers,
Bogdan