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