[Wien] Volume Optimization error
Muhammad Yaseen
yaseen1911 at gmail.com
Fri Jul 22 06:27:26 CEST 2011
Please help.
I am using WIEN2K07 compiled with following options
Current settings:
O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_V
L Linker Flags: $(FOPT) -L/opt/intel/mkl/8.0.1/lib/32
-lpthread
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_lapack -lmkl_ia32 -lmkl_blas95
-lguide -lvml -pthread
Program run fine but I am getting following error on volume otimization.
Commandline: *x optimize -c*
Program input is: *"1 5 -10 -5 0 5 10 "*
********************************************
GENERATES STRUCT-FILES AND optimize.job
PLEASE CHOOSE ONE OF THE FOLLOWING FEATURES:
[1] VARY VOLUME with CONSTANT RATIO A:B:C
[2] VARY C/A RATIO with CONSTANT VOLUME (tetr and hex lattices)
[3] VARY C/A RATIO with CONSTANT VOLUME and B/A (orthorh lattice)
[4] VARY B/A RATIO with CONSTANT VOLUME and C/A (orthorh lattice)
[5] VARY A and C (2D-case) (tetragonal or hexagonal lattice)
[6] VARY A, B and C (3D-case) (orthorhombic lattice)
[7] VARY A, B, C and Gamma (4D-case) (monoclinic lattice)
[8] VARY C/A RATIO and VOLUME (2D-case) (tetr and hex lattices)
********************************************
NUMBER OF STRUCTURE CHANGES ?
PLEASE ENTER VALUE 1 (IN %)
forrtl: severe (59): list-directed I/O syntax error, unit -4, file stdin
Image PC Routine Line Source
optimize 08093C28 Unknown Unknown Unknown
optimize 08093720 Unknown Unknown Unknown
optimize 08071CD9 Unknown Unknown Unknown
optimize 0804E7EC Unknown Unknown Unknown
optimize 0804EC8F Unknown Unknown Unknown
optimize 0805DA47 Unknown Unknown Unknown
optimize 0805D28F Unknown Unknown Unknown
optimize 0804AF44 Unknown Unknown Unknown
optimize 0804AB09 Unknown Unknown Unknown
optimize 0804A21C Unknown Unknown Unknown
Unknown 4E16BF2C Unknown Unknown Unknown
optimize 0804A0D1 Unknown Unknown Unknown
0.000u 0.004s 0:00.02 0.0% 0+0k 0+0io 0pf+0w
error: command /prog/wien2k/optimize optimize.def failed
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