[Wien] Error message during scf calculation

[Gavin Abo]

Sorry, in siteconfig, add to the end of your Compiler options:

-I/opt/intel/composer_xe_2013.0.079/mkl/include

-------------------------------------------------------------------------

I found in at least one module that mkl_vml.fi is needed earlier in the 
compile stage:

root at computername:~/WIEN2k# cd SRC_vecpratt/
root at computername:~/WIEN2k/SRC_vecpratt# grep FOPT Makefile
# FOPT ......... optimization flags
FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io
LDFLAGS = $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
FFLAGS = $(FGEN) $(FOPT)
root at computername:~/WIEN2k/SRC_vecpratt# grep 5102 *.msg
W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
root at computername:~/WIEN2k/SRC_vecpratt# cat compile.msg
...
ifort  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io  -c W2kinit_tmp.F
W2kinit_tmp.F(28): error #5102: Cannot open include file 'mkl_vml.fi'
...
root at computername:~/WIEN2k/SRC_vecpratt# gedit Makefile
root at computername:~/WIEN2k/SRC_vecpratt# grep FOPT Makefile
# FOPT ......... optimization flags
FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io -I/opt/intel/composer_xe_2013_sp1.1.106/mkl/include
LDFLAGS = $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
FFLAGS = $(FGEN) $(FOPT)
root at computername:~/WIEN2k/SRC_vecpratt# rm compile.msg
root at computername:~/WIEN2k/SRC_vecpratt# make |& tee -a compile.msg
root at computername:~/WIEN2k/SRC_vecpratt# grep 5102 *.msg
root at computername:~/WIEN2k/SRC_vecpratt#