Dear All, I am trying to run a phonon calculation using the following input file for ph.x
phonon at all dynpoints &inputph tr2_ph=1.0d-14, prefix='SrSnO3', ldisp=.true., nq1=4, nq2=4, nq3=4, amass(1)=87.62, amass(2)=118.710, amass(3)=15.9994, outdir='/home/test/omkar/phonon/tmp', fildyn='SrSnO3.dynpoint', / The error is pasted below: forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source ph.x 0000000000454B53 set_irr_ 292 set_irr.f90 ph.x 0000000000428ACB init_representati 91 init_representations.f90 ph.x 00000000004083EB check_initial_sta 156 check_initial_status.f90 ph.x 00000000004050E0 MAIN__ 89 phonon.f90 ph.x 000000000040502C Unknown Unknown Unknown libc.so.6 0000003249C1D994 Unknown Unknown Unknown ph.x 0000000000404F39 Unknown Unknown Unknown When I tried using a lower version 4.0.4 it ran fine. A couple of other observations. When I lowered or increased the size of the q point mesh, the program executed without any problems in 4.3.1 I also tried localizing the problem, and I find that the 15th element of num_rap_mode array gets some strange value of -1 after a call to find_mode_sym. Hope this information would be useful. If you need the input file for pw.x please let me know. Thank you for any help. Regards M. Meenakshi Sundaram R&D Assistant JNCASR
