[Wien] 13 compilation with openmp

[Torsten Weissbach]

Hello,

I have some questions about the compilation of WIEN2k 13 with openmp and
FFTW support. I'm using ifort 11.1 on Scientific Linux together with the
mkl 10.3.9 (from a later compiler) and fftw3. The compilation functions
when I add -lifcoremt -lirc to the LDFLAGS (there was a strange error
occurring before) and results in a working threaded program.

But only if the FOPT string does not contain -openmp. Instead -openmp is
added to the R_LIBS. If I set -openmp in FOPT, the I get compiler errors
in hf: 

compile.msg:

........snip......

ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -O3
-xHost -mc
model=medium
-I/cm/shared/apps/intel-cs/composer_xe_2011_sp1.9.293/mkl/include -
openmp -DFFTW3 -I/home/weissbach/fftw/include -c calc_h_tmp_.F
: catastrophic error: **Internal compiler error: segmentation violation
signal r
aised** Please report this error along with the circumstances in which
it occurr
ed in a Software Problem Report.  Note: File and line given may not be
explicit cause of this error.

compilation aborted for calc_h_tmp_.F (code 3)
make[1]: *** [calc_h.o] Error 3
make[1]: Leaving directory `/home/weissbach/WIEN2k_13_omptest/SRC_hf'
make: *** [real] Error 2

........snip.............
(same for the complex version)


and lapwso:

compile.msg:

........snip......

ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -O3
-xHost -mcmodel=medium
-I/cm/shared/apps/intel-cs/composer_xe_2011_sp1.9.293/mkl/include
-openmp -DFFTW3 -I/home/weissbach/fftw/include -c lap_bp.f
lap_bp.f(575): error #5082: Syntax error, found IDENTIFIER 'LOCAL' when
expecting one of: ( % : . = =>
!$ DOACROSS Local (KP,KK,KKB,KKK,KKKB,KTMP1,KTMP2,KTMP3)
------------^
lap_bp.f(4656): error #5082: Syntax error, found IDENTIFIER 'LOCAL' when
expecting one of: ( % : . = =>
!$ DOACROSS Local (KP,KK,KKB,KKK,KKKB,KTMP1,KTMP2,KTMP3)
------------^
compilation aborted for lap_bp.f (code 1)
make: *** [lap_bp.o] Error 1

........snip......


You see that I also included an external fftw hoping to get openmp
parallel fft. However it seems that lapw0 (when FOPT does not contain
-openmp) is not threaded. 

It would also be very helpful to know some typical testcases that will
show whether the parts of the program are running well. Can you suggest
some?

Best regards,
Torsten