[Wien] Problem with SRC_lapw1 compilation in Wien2K_09.02

[Gerhard Fecher]

You might need to link the vector math library (I guess thats were the v... functions reffer too)
-L/opt/intel/Compiler/11.1/064/lib/intel64 -lsvml (check the path where it is)
if the Linker does not find it automatically from youre environment variables.

-Vaxlib is obsolete since a very long tome

I wonder why you do not use the MKL that comes together with the 11.1 version of the compiler.

Did anyone check whether the  -DINTEL_VML macro (it is used only in one subroutine)
is doing a better job compared to the svml library routines ?


Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Ranyele Amorim [ranyele at gmail.com]
Gesendet: Donnerstag, 14. Januar 2010 19:58
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Problem with SRC_lapw1 compilation in Wien2K_09.02

Dear all Wien2k users and Peter Blaha,

I am trying to compile wien2k version 09.02 on a machine of type Intel Xeon 2.5GHz with operating system Linux, fortran compiler Intel Fortran Compiler 11.1.064 and math libraries Intel MKL 10.2.3.029.
For the compilation I used:

 O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback
 L   Linker Flags:            -L/opt/intel/mkl/10.2.3.029/lib/em64t<http://10.2.3.029/lib/em64t> -L/opt/Wien2K9/SRC_lib -Vaxlib -pthread
 P   Preprocessor flags       '-DParallel'
 R   R_LIB (LAPACK+BLAS):     -llapack_lapw -lblas_lapw -lpthread

All SRC files compile very well, but in SRC_lapw1 I had the following errors:

hamilt.o: In function `hamilt_':
hamilt_tmp_.F:(.text+0x347c): undefined reference to `vdcos_'
hamilt_tmp_.F:(.text+0x349d): undefined reference to `vdsin_'
hamilt_tmp_.F:(.text+0x390a): undefined reference to `vdsincos_'
hamilt_tmp_.F:(.text+0x392b): undefined reference to `vdinv_'
.....
make[1]: *** [lapw1c] Error 1
make[1]: Leaving directory `/opt/Wien2K9/SRC_lapw1'
make: *** [complex] Error 2
Copying programs
WARNING: no executable found in SRC_lapw1. Check compile.msg in this directory

done.

Compile time errors (if any) were:
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2

Can someone help me?

--
Ranyele Amorim Martins - UFSJ - 2010