Dear GULP community,
while performing a thermal conductivity calculation with GULP interfaced with ALAMODE I get a bus error during the execution of alm. Yet, an analogous calculation performed with ALAMODE alone does not raise any error.
free -h command yields
total used free shared buff/cache available Mem: 188G 10G 167G 308M 9.7G 167G Swap: 15G 0B 15G
so I should be having enough memory.
I am using the same input as in the example67, the only modification being the change in the physical system I simulate, i.e. a 6x6x6 supercell of a 5 atoms unitary cell.
Has anybody any idea on what is happening?