<div dir="ltr">You missed - sign <div style>It should be -lmkl_lapack95</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Apr 5, 2013 at 3:56 AM, vishal jain <span dir="ltr"><<a href="mailto:vjain045@gmail.com" target="_blank">vjain045@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear Sir <br><br></div><div>Thank you sir as you suggest i have done now i'm getting <br><br><br>
nrl@nrl-Vostro-220s-Series:~$ cd WIEN2k<br>nrl@nrl-Vostro-220s-Series:~/WIEN2k$ ./siteconfig_lapw<div class="im"><br>
<br> *********************************************************<br> * W I E N *<br> * site configuration *<br> *********************************************************<br>
<br></div> Last configuration: Fri Apr 5 13:09:11 IST 2013<div class="im"><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" target="_blank">http://www.wien2k.at/reg_user/faq</a><br>
searching ....<br></div>You have the following mkl libraries in /home/nrl/intel/composer_xe_2013.3.163/mkl :<br>/home/nrl/intel/composer_xe_2013.3.163/mkl/lib/ia32/libmkl_gf.so<br>/home/nrl/intel/composer_xe_2013.3.163/mkl/lib/ia32/libmkl_blas95.a<br>
/home/nrl/intel/composer_xe_2013.3.163/mkl/lib/ia32/libmkl_vml_p4p.so<br>.<br>.<div class="im"><br>.<br><br><a href="http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/" target="_blank">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>
</div>
L Linker Flags: $(FOPT) -L/opt/intel/composerxe/mkl/lib/ia32 -pthread<br> P Preprocessor flags '-DParallel'<br> R R_LIB (LAPACK+BLAS): lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp -lpthread<div class="im">
<br>
<br> S Save and Quit<br> Q Quit abandon changes<br><br> To change an item select option.<br><br>Selection: <br></div>--------------------<br><br></div><div>After i select R (compile all) than getting these errors<br>
<br>
<br></div><div>/lib/ia32 -pthread lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp -lpthread<br>ifort: error #10236: File not found: 'lmkl_lapack95'<br>make[1]: *** [filtvec] Error 1<br>make[1]: Leaving directory `/home/nrl/WIEN2k/SRC_filtvec'<div class="im">
<br>
make: *** [real] Error 2<br><br><br></div></div></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Apr 5, 2013 at 11:15 AM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">You say: "I have installed ifort + mkl"<br>
<br>
Where did you install it ??? (in which directory) ???<br>
It seems, siteconfig cannot find it in the default /opt/intel/.... path<br>
<br>
Once you know, where it is, change into the installation directory and look<br>
for the configuration script compilervars.sh. Find out the complete pathname<br>
and put a line as suggested previously into ~/.bashrc<br>
<br>
source "your-path"/compilervars.sh intel64<br>
<br>
then logout/login again and check:<br>
<br>
which ifort<br>
echo $MKLROOT<br>
<br>
<br>
<br>
<br>
<br>
Am 05.04.2013 06:47, schrieb vishal jain:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div>
I do as you mention but observed same error<br>
<br>
SRC_sumhfpara/compile.msg:<u></u>make: *** [complex] Error 2<br>
SRC_sumpara/compile.msg:make: *** [errclr.o] Error 127<br>
SRC_supercell/compile.msg:<u></u>make: *** [supercell.o] Error 127<br>
SRC_symmetry/compile.msg:make: *** [symmetry.o] Error 127<br>
SRC_symmetso/compile.msg:make: *** [symmetso.o] Error 127<br>
SRC_telnes3/compile.msg:make: *** [modules.o] Error 127<br>
SRC_tetra/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_trig/compile.msg:make: *** [rhomb_in5.o] Error 127<br>
SRC_txspec/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_vecpratt/compile.msg:make[<u></u>1]: *** [vecpratt.o] Error 127<br>
SRC_vecpratt/compile.msg:make: *** [real] Error 2<br>
SRC_vecpratt/compile.msg:make[<u></u>1]: *** [vecpratt.o] Error 127<br>
SRC_vecpratt/compile.msg:make: *** [complex] Error 2<br>
SRC_structeditor/SRC_<u></u>ncmsymmetry/compile.msg:make: *** [module.o] Error 127<br>
SRC_structeditor/SRC_<u></u>readwrite/compile.msg:make: *** [module.o] Error 127<br>
SRC_structeditor/SRC_<u></u>struct2mol/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_structeditor/SRC_<u></u>structgen/compile.msg:make: *** [module.o] Error 127<br>
<br>
<br>
<br>
in P configure Parallel execution i choose<br>
<br>
******************************<u></u>****<br>
* Configure parallel execution *<br>
******************************<u></u>****<br>
<br>
These options are stored in parallel_options of WIENROOT<br>
You can change them later also manually.<br>
<br>
Do you use ONLY a shared memory parallel architecture (ONE single multi-core<br>
node) ?<br>
<br>
<br>
On shared memory system it is normally better to start jobs in the<br>
background rather than using remote commands. If you select a shared memory<br>
system WIEN will by default not use remote shell commands<br>
(USE_REMOTE and MPI_REMOTE = 0 in parallel_options)<br>
and set the default granularity to 1.<br>
<br>
You still can override this default granularity in your .machines file.<br>
<br>
You may also set a specific TASKSET command to bind your executables<br>
to a specific core on multicore machines.<br>
Shared Memory Architecture? (y/n):y<br>
Do you know/need a command to bind your jobs to specific nodes ?<br>
(like taskset -c). Enter N / your_specific_command: n<br>
On most mpi-2 versions, it is better to start an mpijob on the original machine<br>
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<br>
<br>
******************************<u></u>**************************<br>
Do you have MPI and Scalapack installed and intend to run<br>
finegrained parallel? (This is usefull only for BIG cases<br>
(50 atoms and more / unit cell) and you need to know details<br>
about your installed mpi and fftw )<br>
(y/n) n<br>
<br>
<br>
<br>
<br>
<br>
<br></div></div><div><div>
On Fri, Apr 5, 2013 at 9:42 AM, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a> <mailto:<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>>> wrote:<br>
<br>
Try changing the Linker and R_LIB lines to:<br>
<br>
Linker Flags:$(FOPT) -L/opt/intel/composerxe/mkl/<u></u>lib/ia32 -pthread<br>
R_LIB (LAPACK+BLAS):-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp -lpthread<br>
<br>
<br>
On 4/4/2013 9:52 PM, vishal jain wrote:<br>
</div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div>
Dear Sir<br>
<br>
I found error on compiling (R=Compile and Recompile)<br>
.<br>
<br>
SRC_structeditor/SRC_<u></u>ncmsymmetry/compile.msg:make: *** [module.o] Error 127<br>
SRC_structeditor/SRC_<u></u>readwrite/compile.msg:make: *** [module.o] Error 127<br>
SRC_structeditor/SRC_<u></u>struct2mol/compile.msg:make: *** [reallocate.o] Error 127<br>
SRC_structeditor/SRC_<u></u>structgen/compile.msg:make: *** [module.o] Error 127<br>
<br>
<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>
C i choose ifort + cc<br>
O shown below how to define path<br>
<br>
<br>
******************************<u></u>***************************<br>
* W I E N *<br>
* site configuration *<br>
******************************<u></u>***************************<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" target="_blank">http://www.wien2k.at/reg_user/<u></u>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></div></div>
(mkl is included in new ifort versions, see <a href="http://www.intel.com" target="_blank">www.intel.com</a> <<a href="http://www.intel.com" target="_blank">http://www.intel.com</a>> )<div><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/" target="_blank">http://software.intel.com/en-<u></u>us/articles/intel-mkl-link-<u></u>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_<u></u>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></blockquote>
<br>
<br>
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</div></blockquote><span><font color="#888888">
<br>
-- <br>
------------------------------<u></u>-----------<br>
Peter Blaha<br>
Inst. Materials Chemistry, TU Vienna<br>
Getreidemarkt 9, A-1060 Vienna, Austria<br>
Tel: <a href="tel:%2B43-1-5880115671" value="+4315880115671" target="_blank">+43-1-5880115671</a><br>
Fax: <a href="tel:%2B43-1-5880115698" value="+4315880115698" target="_blank">+43-1-5880115698</a><br>
email: <a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a><br>
------------------------------<u></u>-----------</font></span><div><div><br>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><font color="#ff0000"><b> <i> <br>Dr M.Rajagopalan<br>Emeritus Scientist (CSIR)<br>Crystal Growth Center 20 6th Main Road<br>Anna University Chromepet<br>
Chennai 600 025 Chennai 600 044<br>Phone # 22213023 (R)<br> 22359208 (O)<br>Mobile 9445125709<br><br></i></b></font><br>
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