[Wien] compilation commands for IFORT and pb with ghost bands

Souraya GOUMRI-SAID goumri-said at univ-paris12.fr
Mon Nov 20 15:07:30 CET 2006

Dear user wien2k,

I have read the old questions and answers in the digest, but still have a pb 
with my wien2k. In fact, I am using the following settings to install the 
latest version of wien2k_06 in the linuxif8 machine with a compiler ifort : 

Current settings:
     O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip -
     L   Linker Flags:            -L/opt/intel/fce/9.0/lib/ -
L/opt/intel/mkl/8.0/lib/em64t -Vaxlib -i_dynamic -mcmodel=medium -lcxa -
pthread -lun
     P   Preprocessor flags       '-DParallel'
     R   R_LIB (LAPACK+BLAS):     -lmkl_lapack -lmkl_em64t -lguide

when I run a simple example for Cr, my calculation crash and I have ghost 
band  'l2main' - QTL-B.GT.7., Ghostbands, check scf files

but when I run the same example with the same version and in other machine 
with a compiler f90  in DEC machine and without changing any data in the 
input files and in the initialization steps, the calculation is correct and 

Have you any other suggestion about the compilation in ifort system.
Is the problem of ghost band linked to a numerical parameters ? what are 
theses parameters ? 

Thank you for helping me. 

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