Reply To: mpi / jd2 with AbinitioRelax and relax (3.2)

[Anonymous]

In my experience, Segmentation faults mean that the Rosetta code made an assumption that didn’t hold for your run. (Occasionally it’s something as simple as an extra blank line in one of the input files.)

If you are able to easily do so, running a debug mode compile should give you more information. (For debug mode, omit the mode=release on the scons line, and use the resulting *.linuxgccdebug executables – I’m not sure how well debug mode plays with MPI, though.) Even without running it in a debugger, the debug compile has extra “sanity checks” that, while slowing the execution down, should give you more information about what went wrong. (i.e. The program should exit with an error message, rather than giving a segmentation fault.)