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