[Wien] Error in dstart phase

[Hamdy Barkaoui]

Dear users,
I am running Wien under fortran compiler. The purpose of my calculations is to have the vibration modes of PbBr4 (1D chain).To do so, I generated, using the Phonopy program, 30 supercells starting from the PbBr4.struct. The problem is that I did not achieve the initialization. After running init_lapw from a terminal on one of these supercells (001.struct; attached file), and choosing the default parameters (except for Rkmax=5), I obtained the following error (dstart phase):
starting parallel dstart at lundi 29 janvier 2018, 17:48:36 (UTC+0100)-------- .machine0 : processorsrunning dstart in single modeforrtl: severe (174): SIGSEGV, segmentation fault occurredImage              PC                Routine            Line        Source             dstart             00000000004C7735  Unknown               Unknown  Unknowndstart             00000000004C54F7  Unknown               Unknown  Unknowndstart             0000000000474DF4  Unknown               Unknown  Unknowndstart             0000000000474C06  Unknown               Unknown  Unknowndstart             00000000004307A9  Unknown               Unknown  Unknowndstart             00000000004344E0  Unknown               Unknown  Unknownlibpthread.so.0    00007F53C2B8C330  Unknown               Unknown  Unknowndstart             0000000000404B2E  reallocate_mp_dor         224  module.Fdstart             000000000040D343  recpr_                    210  recpr.fdstart             0000000000410E9B  make_inter_                21  make_inter.Fdstart             000000000040E54B  MAIN__                     21  dstart.Fdstart             00000000004030DE  Unknown               Unknown  Unknownlibc.so.6          00007F53C1F8DF45  Unknown               Unknown  Unknowndstart             0000000000402FE9  Unknown               Unknown  Unknown5.6u 0.0s 0:05.85 97.9% 0+0k 0+60008io 0pf+0werror: command   /home/versus/wien2k/dstartpara -c dstart.def   failed
I tried 2 others .struct files and I got the same error. The 001.struct seems to be right. So I really don't understand what is happening. It would be great if someone can help resolving this case.
Best,
Hamdi

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