Please help.<br>I am using WIEN2K07 compiled with following options<br> <br> Current settings:<br> O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_V<br> L Linker Flags: $(FOPT) -L/opt/intel/mkl/8.0.1/lib/32 -lpthread<br>
P Preprocessor flags '-DParallel'<br> R R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_ia32 -lmkl_blas95 -lguide -lvml -pthread<br><br>Program run fine but I am getting following error on volume otimization.<br>
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Commandline: <b>x optimize -c</b><br>
Program input is: <b>"1
5
-10
-5
0
5
10
"</b>
<br>
<br>
<pre><font size="4"> ********************************************<br> GENERATES STRUCT-FILES AND optimize.job<br> PLEASE CHOOSE ONE OF THE FOLLOWING FEATURES:<br> <br> [1] VARY VOLUME with CONSTANT RATIO A:B:C<br> [2] VARY C/A RATIO with CONSTANT VOLUME (tetr and hex lattices)<br>
[3] VARY C/A RATIO with CONSTANT VOLUME and B/A (orthorh lattice)<br> [4] VARY B/A RATIO with CONSTANT VOLUME and C/A (orthorh lattice)<br> [5] VARY A and C (2D-case) (tetragonal or hexagonal lattice)<br> [6] VARY A, B and C (3D-case) (orthorhombic lattice)<br>
[7] VARY A, B, C and Gamma (4D-case) (monoclinic lattice)<br> [8] VARY C/A RATIO and VOLUME (2D-case) (tetr and hex lattices)<br> <br> ********************************************<br> <br> NUMBER OF STRUCTURE CHANGES ?<br>
PLEASE ENTER VALUE 1 (IN %) <br>forrtl: severe (59): list-directed I/O syntax error, unit -4, file stdin<br>Image PC Routine Line Source <br>optimize 08093C28 Unknown Unknown Unknown<br>
optimize 08093720 Unknown Unknown Unknown<br>optimize 08071CD9 Unknown Unknown Unknown<br>optimize 0804E7EC Unknown Unknown Unknown<br>optimize 0804EC8F Unknown Unknown Unknown<br>
optimize 0805DA47 Unknown Unknown Unknown<br>optimize 0805D28F Unknown Unknown Unknown<br>optimize 0804AF44 Unknown Unknown Unknown<br>optimize 0804AB09 Unknown Unknown Unknown<br>
optimize 0804A21C Unknown Unknown Unknown<br>Unknown 4E16BF2C Unknown Unknown Unknown<br>optimize 0804A0D1 Unknown Unknown Unknown<br>0.000u 0.004s 0:00.02 0.0% 0+0k 0+0io 0pf+0w<br>
error: command /prog/wien2k/optimize optimize.def failed<br></font><br></pre><br><br><br>