Hi All, I'm having trouble getting an optical calculation to run. I keep getting the following error message after the computed dipole in my output file:
siesta: Electric dipole (a.u.) = 15.828428 10.716906 1.729590 siesta: Electric dipole (Debye) = 40.231879 27.239676 4.396182 bm_list_25179: (11993.044935) wakeup_slave: unable to interrupt slave 0 pid 25178 p1_25212: p4_error: net_recv read: probable EOF on socket: 1 rm_l_1_25213: (11992.807211) net_send: could not write to fd=5, errno = 32 p2_25246: p4_error: net_recv read: probable EOF on socket: 1 rm_l_2_25247: (11992.571881) net_send: could not write to fd=5, errno = 32 p2_25246: (11994.573904) net_send: could not write to fd=5, errno = 32 I've been through the archives and feel that I've specified all that is necessary: OpticalCalculation .true. Optical.NumberOfBands All bands # default Optical.Scissor 0 eV # default 0, increase to increase underestimated bandgap Optical.Broaden 0.1 eV Optical.EnergyMinimum 0 eV Optical.EnergyMaximum 20 eV %block Optical.Mesh 2 2 2 %endblock Optical.Mesh Optical.PolarizationType polarized # options: polarized, unpolarized, polycrystal %block Optical.Vector # for polarized and unpolarized 1.0 0.0 0.0 %endblock OpticalVector My system is 165 atoms, and I've had no problems geometry optimizing with an MD CG run. I've tried this on another computer as well but still have the same problem, usually using 4 nodes. Any idea what's going wrong? Chris Rowan
