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.
job.csh
Description: C-Shell script
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