You missed - sign It should be -lmkl_lapack95
On Fri, Apr 5, 2013 at 3:56 AM, vishal jain <vjain...@gmail.com> wrote: > Dear Sir > > Thank you sir as you suggest i have done now i'm getting > > > nrl@nrl-Vostro-220s-Series:~$ cd WIEN2k > nrl@nrl-Vostro-220s-Series:~/WIEN2k$ ./siteconfig_lapw > > > ********************************************************* > * W I E N * > * site configuration * > ********************************************************* > > Last configuration: Fri Apr 5 13:09:11 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 .... > You have the following mkl libraries in > /home/nrl/intel/composer_xe_2013.3.163/mkl : > /home/nrl/intel/composer_xe_2013.3.163/mkl/lib/ia32/libmkl_gf.so > /home/nrl/intel/composer_xe_2013.3.163/mkl/lib/ia32/libmkl_blas95.a > /home/nrl/intel/composer_xe_2013.3.163/mkl/lib/ia32/libmkl_vml_p4p.so > . > . > > . > > 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) -L/opt/intel/composerxe/mkl/lib/ia32 > -pthread > P Preprocessor flags '-DParallel' > R R_LIB (LAPACK+BLAS): lmkl_lapack95 -lmkl_intel -lmkl_intel_thread > -lmkl_core -openmp -lpthread > > > S Save and Quit > Q Quit abandon changes > > To change an item select option. > > Selection: > -------------------- > > After i select R (compile all) than getting these errors > > > /lib/ia32 -pthread lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core > -openmp -lpthread > ifort: error #10236: File not found: 'lmkl_lapack95' > make[1]: *** [filtvec] Error 1 > make[1]: Leaving directory `/home/nrl/WIEN2k/SRC_filtvec' > > make: *** [real] Error 2 > > > > > On Fri, Apr 5, 2013 at 11:15 AM, Peter Blaha <pbl...@theochem.tuwien.ac.at > > wrote: > >> You say: "I have installed ifort + mkl" >> >> Where did you install it ??? (in which directory) ??? >> It seems, siteconfig cannot find it in the default /opt/intel/.... path >> >> Once you know, where it is, change into the installation directory and >> look >> for the configuration script compilervars.sh. Find out the complete >> pathname >> and put a line as suggested previously into ~/.bashrc >> >> source "your-path"/compilervars.sh intel64 >> >> then logout/login again and check: >> >> which ifort >> echo $MKLROOT >> >> >> >> >> >> Am 05.04.2013 06:47, schrieb vishal jain: >> >>> I do as you mention but observed same error >>> >>> SRC_sumhfpara/compile.msg:**make: *** [complex] Error 2 >>> SRC_sumpara/compile.msg:make: *** [errclr.o] Error 127 >>> SRC_supercell/compile.msg:**make: *** [supercell.o] Error 127 >>> SRC_symmetry/compile.msg:make: *** [symmetry.o] Error 127 >>> SRC_symmetso/compile.msg:make: *** [symmetso.o] Error 127 >>> SRC_telnes3/compile.msg:make: *** [modules.o] Error 127 >>> SRC_tetra/compile.msg:make: *** [reallocate.o] Error 127 >>> SRC_trig/compile.msg:make: *** [rhomb_in5.o] Error 127 >>> SRC_txspec/compile.msg:make: *** [reallocate.o] Error 127 >>> SRC_vecpratt/compile.msg:make[**1]: *** [vecpratt.o] Error 127 >>> SRC_vecpratt/compile.msg:make: *** [real] Error 2 >>> SRC_vecpratt/compile.msg:make[**1]: *** [vecpratt.o] Error 127 >>> SRC_vecpratt/compile.msg:make: *** [complex] Error 2 >>> 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 P configure Parallel execution i choose >>> >>> ************************************ >>> * Configure parallel execution * >>> ************************************ >>> >>> These options are stored in parallel_options of WIENROOT >>> You can change them later also manually. >>> >>> Do you use ONLY a shared memory parallel architecture (ONE single >>> multi-core >>> node) ? >>> >>> >>> On shared memory system it is normally better to start jobs in the >>> background rather than using remote commands. If you select a shared >>> memory >>> system WIEN will by default not use remote shell commands >>> (USE_REMOTE and MPI_REMOTE = 0 in parallel_options) >>> and set the default granularity to 1. >>> >>> You still can override this default granularity in your .machines >>> file. >>> >>> You may also set a specific TASKSET command to bind your executables >>> to a specific core on multicore machines. >>> Shared Memory Architecture? (y/n):y >>> Do you know/need a command to bind your jobs to specific nodes ? >>> (like taskset -c). Enter N / your_specific_command: n >>> On most mpi-2 versions, it is better to start an mpijob on the >>> original machine >>> and not via ssh on a remote system. If you are using mpi2 set >>> MPI_REMOTE to 0 Set MPI_REMOTE to 0 / 1: 0 >>> >>> ********************************************************** >>> Do you have MPI and Scalapack installed and intend to run >>> finegrained parallel? (This is usefull only for BIG cases >>> (50 atoms and more / unit cell) and you need to know details >>> about your installed mpi and fftw ) >>> (y/n) n >>> >>> >>> >>> >>> >>> >>> On Fri, Apr 5, 2013 at 9:42 AM, Gavin Abo <gs...@crimson.ua.edu <mailto: >>> gs...@crimson.ua.edu>> wrote: >>> >>> 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<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/<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 >>> w...@zeus.theochem.tuwien.ac.**at >>> <Wien@zeus.theochem.tuwien.ac.at><mailto: >>> Wien@zeus.theochem.**tuwien.ac.at <Wien@zeus.theochem.tuwien.ac.at>> >>> >>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >>> >>> >>> >>> >>> >>> ______________________________**_________________ >>> Wien mailing list >>> w...@zeus.theochem.tuwien.ac.**at <Wien@zeus.theochem.tuwien.ac.at> >>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >>> >>> >> -- >> ------------------------------**----------- >> Peter Blaha >> Inst. Materials Chemistry, TU Vienna >> Getreidemarkt 9, A-1060 Vienna, Austria >> Tel: +43-1-5880115671 >> Fax: +43-1-5880115698 >> email: pbl...@theochem.tuwien.ac.at >> ------------------------------**----------- >> >> ______________________________**_________________ >> Wien mailing list >> w...@zeus.theochem.tuwien.ac.**at <Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien> >> > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- * Dr M.Rajagopalan Emeritus Scientist (CSIR) Crystal Growth Center 20 6th Main Road Anna University Chromepet Chennai 600 025 Chennai 600 044 Phone # 22213023 (R) 22359208 (O) Mobile 9445125709 *
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