Dear wien users, I am calculating band structure of PbS with SO coupling. When I run lapwso I got the error mensage ---------------------------------------------------------------------------------------------------------------------- [nilton at bodesking case]$ x lapwso forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source lapwso 000000000040E8DF Unknown Unknown Unknown lapwso 0000000000422B14 Unknown Unknown Unknown lapwso 00000000004002EC Unknown Unknown Unknown lapwso 0000000000E7A840 Unknown Unknown Unknown lapwso 00000000004001B9 Unknown Unknown Unknown 0.005u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w error: command /home/nilton/wien2k/lapwso lapwso.def failed
My sistem is an xeon quadcore PC. The lapwso was compiled with intel fortran composerxe-2011.2.137 and the OPTIONS is ------------------------------------------------------------------------------------------------------------- current: FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include current: FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback current: LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/intel64 -static -pthread current: DPARALLEL:'-DParallel' current: R_LIBS:$(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_cdft_core.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a $(MKLROOT)/lib/intel64/libmkl_blacs_lp64.a -Wl,--end-group -openmp -lpthread -lm current: RP_LIBS:/usr/local/fftw/lib/libfftw_mpi.a /usr/local/fftw/lib/libfftw.a /home/nilton/mpich-1.2.7p1/lib/libmpich.a $(R_LIBS) current: MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ ------------------------------------------------------------------------------------------------------ I have tried to recompile with dynamic libraries and the crash still remain. Thanks in advance for any help. Nilton -- Nilton S. Dantas Universidade Estadual de Feira de Santana Departamento de Ci?ncias Exatas ?rea de Inform?tica Av. Transnordestina, S/N, Bairro Novo Horizonte CEP 44036900 - Feira de Santana, Bahia, Brasil Tel./Fax +55 75 31618086 http://www2.ecomp.uefs.br/ <http://www.uefs.br/portal> -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120208/6938f9e4/attachment.htm>