[Wien] runing error: "forrtl: severe (71): integer divide by zero"

贾亚磊 jia_yalei at 163.com
Wed Jul 31 19:49:00 CEST 2013


Dear all,
I compile successfully Wien2k_11 on linux centos 5.5 with icc, ifort 11.1, openmpi mpif90, and intel mkl.
[ O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
 L   Linker Flags:            $(FOPT) -L/home/yljia/intel/mkl/10.0.2.018/lib/em64t -pthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     -lmkl_lapack -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide

     RP  RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/home/yljia/compiler_library/fftw-2.1.5/lib -lfftw_mpi -lfftw $(R_LIBS)
     FP  FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
     MP  MPIRUN commando        : mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_]
When I do the  TiC test as in the users' guide serially, the calculation has no problem and scf is converged.
However when I want to run in parallel, I get the errors in STDOUT:
 LAPW0 END
 LAPW0 END
.....................
 LAPW0 END
forrtl: severe (71): integer divide by zero
Image              PC                Routine            Line        Source
libmkl_intel_thre  00002ABEF8C686BE  Unknown               Unknown  Unknown
forrtl: severe (71): integer divide by zero
Image              PC                Routine            Line        Source
libmkl_intel_thre  00002B232B4F26BE  Unknown               Unknown  Unknown
.....................
forrtl: severe (71): integer divide by zero
Image              PC                Routine            Line        Source
libmkl_intel_thre  00002B232B4F26BE  Unknown               Unknown  Unknown

>   stop error
Please help me

Best regards,
Jia Yalei

The attaced files are STDOUT and the script to submit for parallel which is changed from WIENROOT/qsub-job0-sge_lapw for my gridengine system.
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