Try changing the Linker and R_LIB lines to:
Linker Flags:$(FOPT) -L/opt/intel/composerxe/mkl/lib/ia32 -pthread
R_LIB (LAPACK+BLAS):-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread
-lmkl_core -openmp -lpthread
On 4/4/2013 9:52 PM, vishal jain wrote:
Dear Sir
I found error on compiling (R=Compile and Recompile)
.
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [module.o]
Error 127
SRC_structeditor/SRC_readwrite/compile.msg:make: *** [module.o] Error 127
SRC_structeditor/SRC_struct2mol/compile.msg:make: *** [reallocate.o]
Error 127
SRC_structeditor/SRC_structgen/compile.msg:make: *** [module.o] Error 127
In site configration i choose following comands
S specify a system I choose I(ifort + MKL because i have installed
l_mkl_11.0.2.146 and l_fcompxe_2013.3.163)
)
C i choose ifort + cc
O shown below how to define path
*********************************************************
* W I E N *
* site configuration *
*********************************************************
Last configuration: Fri Apr 5 09:14:26 IST 2013
Wien Version: WIEN2k_12.1 (Release 22/7/2012)
System: linuxifc
S specify a system
C specify compiler
O specify compiler options, BLAS and LAPACK
P configure Parallel execution
D Dimension Parameters
R Compile/Recompile
U Update a package
L Perl path (if not in /usr/bin/perl)
Q Quit
Selection: O
******************************
* Specify compiler options *
******************************
PLEASE NOTE: Best performance can be obtained with processor specific
options.
Very important for speed-up is a optimized BLAS (like mkl, essl, ..),
or at least the GOTO- or ATLAS-BLAS instead of the simple "-lblas_lapw"
For more info see http://www.wien2k.at/reg_user/faq
searching ....
I could not find the mkl-library because MKLROOT is not defined.
Please check whether mkl is installed at all and where
(mkl is included in new ifort versions, see www.intel.com
<http://www.intel.com> )
Without mkl you should install the GOTO-blas or you must use the
blas_lapw
library (performance loss)
Hit Enter to continue
Since intel changes the name of the mkl-libraries from version to version,
you may find the linking options for the most recent ifort version at
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
Recommended options for system linuxifc are:
Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback
Linker Flags: $(FOPT)
-L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
Preprocessor flags: '-DParallel'
R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64
-lmkl_intel_thread -lmkl_core -openmp -lpthread
Current settings:
O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback
L Linker Flags: $(FOPT) -pthread -static
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -lmkl_lapack95_ia32 -lmkl_intel_ia32
-lmkl_intel_thread -lmkl_core -openmp -lpthread
S Save and Quit
Q Quit abandon changes
To change an item select option.
Selection:
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
