Dear Sandeep,<br><br>I have to say I thank you very much for your help.<br><br>I check the file of mpif90 in my machine, the fortran compiler is ifort.<br>I did not install gfortran on my Fedroa.<br>So its ok.<br>But I care this issue in future.<br>
<br>Best wishes to you.<br><br>WANG Riping<br>2012.10.31<br><br><br><br><div class="gmail_quote">On 30 October 2012 18:22, Sandeep Kumar Reddy <span dir="ltr"><<a href="mailto:kuma...@gmail.com" target="_blank">kuma...@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<div> Just now, I realized that you are using mpif90 which by default uses gfortran, not ifort. If it is not what you wanted, you</div>
<div>can use mpiifort which uses ifort. </div><span class="HOEnZb"><font color="#888888"><div><br></div><div>-Sandeep </div></font></span><div class="HOEnZb"><div class="h5">
<div><br><br><br><div class="gmail_quote">On Tue, Oct 30, 2012 at 2:16 PM, Riping Wang <span dir="ltr"><<a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Sandeep,<br><br>I followed you instruction to install fftw3xf and active the LIB -lfftw3xf_intel.<br>It is working now.<br><br>Thank you very much for all the help.<br><br>Again I appened the new input as bellow.<div>
<br>
<br>WANG Riping<br>2012.10.30<br><br><br><br>A workable input file for installation with ifort+intel_mkl+mpich2: <br>##############################</div><div><div>#################################<div><br>INTEL_MKL =/opt/intel/mkl<br>
INTEL_INC = $(INTEL_MKL)/include/fftw<br>INTEL_LIB = $(INTEL_MKL)/lib/intel64 <br><br>CC = cc<br>CPP = <br>FC = mpif90 <br>LD = mpif90<br>AR = ar -r<br>DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3<br>
CPPFLAGS = <br>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free<br>FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xW -heap-arrays 64 -fpp -free<br>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)<br><br>
</div>
LIBS = -L$(INTEL_LIB) $(INTEL_LIB)/libmkl_blas95_lp64.a $(INTEL_LIB)/libmkl_lapack95_lp64.a \<br></div>-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -lfftw3xf_intel <div>
<div><img src=""></div></div><div><div><br></div><div>
<br>OBJECTS_ARCHITECTURE = machine_intel.o<br><br>graphcon.o: graphcon.F<br> $(FC) -c $(FCFLAGS2) $<<br>###############################################################<br></div></div></div><div><div>
<br><br><br><br><div class="gmail_quote">
On 30 October 2012 17:07, Sandeep Kumar Reddy <span dir="ltr"><<a href="mailto:kuma...@gmail.com" target="_blank">kuma...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi,<div> You need to install -lfftw3xf_intel library. </div><div><br></div><div>please go to $MKL_ROOT/interfaces/fftw3xf </div><div><br></div><div>then type : make libintel64 compiler=intel </div><div><br></div>
<div>It will create a library libfftw3xf_intel.a. Please link this to $MKL_ROOT/lib/intel64 </div><div><br></div><div><br></div><div>That's all. Recompile the code. you will get the executable. </div><div><br></div>
<div>Note: As many people say, successful compilation doesn't mean you have the correct executable. You should run test files and check. </div><div><br></div><div>Wishes,</div><div>Sandeep </div><div><div>
<div><br></div><div><br>
</div><div><br><div class="gmail_quote">On Tue, Oct 30, 2012 at 1:09 PM, Riping Wang <span dir="ltr"><<a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Sandeep,<br><br>Following your instructions, I succeed to install cp2k with intel mkl.<br>I am very happy. Thank you very much to you.<br><br>One small issue:<br>I commented out -lfftw3xf_intel you told me for LIB, <br>
otherwise error occur as it can not find fftw3.<br>When I commented it out, the installation goes well.<br>Maybe this is due to the version of mkl.<br>Mine is l_mkl_11.0.1.117.<br>I appended the input for installation bellow, as a workable example.<br>
<br><br>Yours<br>WANG Riping<br>2012.10.30 <br><br><br><br>A workable input file for installation with ifort+intel_mkl+mpich2: <br>###############################################################<div><br>INTEL_MKL =/opt/intel/mkl<br>
INTEL_INC = $(INTEL_MKL)/include/fftw<br>INTEL_LIB = $(INTEL_MKL)/lib/intel64 <br><br>CC = cc<br>CPP = <br>FC = mpif90 <br>LD = mpif90<br>AR = ar -r<br>DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3<br>
CPPFLAGS = <br>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free<br>FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xW -heap-arrays 64 -fpp -free<br>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)<br><br>
</div>
LIBS = -L$(INTEL_LIB) $(INTEL_LIB)/libmkl_blas95_lp64.a $(INTEL_LIB)/libmkl_lapack95_lp64.a \<br>-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm #-lfftw3xf_intel <br>
<div>
<br>OBJECTS_ARCHITECTURE = machine_intel.o<br><br>graphcon.o: graphcon.F<br> $(FC) -c $(FCFLAGS2) $<<br>###############################################################<br><br><br><br></div><div><div>
<div class="gmail_quote">
On 29 October 2012 19:58, Sandeep Kumar Reddy <span dir="ltr"><<a href="mailto:kuma...@gmail.com" target="_blank">kuma...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi,<div> You need to replace the names in arch file with names present in intel mkl directory. </div><div><br></div><div>Like,</div><div><br></div><div><div>LIBS = -L$(MKLROOT)/lib/intel64 $(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a \</div>
<div><span style="white-space:pre-wrap"> </span>-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -lfftw3xf_intel </div><div><br></div><div>Wishes,</div>
<div>Sandeep </div><div><br></div><br><div class="gmail_quote"><div><div>On Mon, Oct 29, 2012 at 3:53 PM, Riping Wang <span dir="ltr"><<a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a>></span> 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 Forum,<br><br>I am installing cp2k: the parallel version popt with mpich2-1.5 and intel mkl.<br>
with command"make -j 12 ARCH=Linux-x86-64-intel VERSION=popt"<br>
<br>But it can not find some lib, with error reports: <br>
'''<br>...<br>ifort: command line remark #10279: option '-xW' is deprecated and will be removed in a future release. See '-help deprecated'<br>ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libscalapack.a'<br>
ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libblacs_init.a'<br>ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libblacs.a'<br>ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libacml.a'<br>
ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libacml_mv.a'<br>ifort: error #10236: File not found: '/opt/intel/mkl/lib/intel64/libfftw3.a'<br>''' <br><br>The content of installation file Linux-x86-64-intel.popt is appended bellow.<br>
I only add three lines on to the original file downloaded from web, without change anything else.<br>These three lines are:<br>'''<br>INTEL_MKL =/opt/intel/mkl<br>INTEL_INC = $(INTEL_MKL)/include/fftw<br>INTEL_LIB = $(INTEL_MKL)/lib/intel64<br>
'''<br><br>I can not find files of libblacs_init.a, libscalapack.a and others<br>on the directory of $INTEL_LIB (/opt/intel/mkl/lib/intel64/) on my machine.<br>Instead, I find libmkl_blacs_intelmpi_ilp64.a, libmkl_scalapack_ilp64.a and <br>
some others with name slight different.<br>I also attached the name of all the file contained in this $INTEL_LIB directory.<br><br>Any one could give hints.<br>Thank you very much.<br><br>WANG Riping<br>2012.10.29<br><br>
<br><br><br><br>content in installation file Linux-x86-64-intel.popt:<br>######################################################################################################<br># by default some intel compilers put temporaries on the stack<br>
# this might lead to segmentation faults is the stack limit is set to low<br># stack limits can be increased by sysadmins or e.g with ulimit -s 256000<br># furthermore new ifort (10.0?) compilers support the option<br># -heap-arrays 64<br>
# add this to the compilation flags is the other options do not work<br># The following settings worked for:<br># - AMD64 Opteron<br># - SUSE Linux Enterprise Server 10.0 (x86_64)<br># - Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 10.0.025<br>
# - AMD acml library version 3.6.0<br># - MPICH2-1.0.5p4<br># - SCALAPACK library 1.8.0<br>#<br>#<br><br>INTEL_MKL =/opt/intel/mkl<br>INTEL_INC = $(INTEL_MKL)/include/fftw<br>INTEL_LIB = $(INTEL_MKL)/lib/intel64<br>
<br><br>CC = cc<br>CPP = <br>FC = mpif90 <br>LD = mpif90<br>AR = ar -r<br>DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3<br>CPPFLAGS = <br>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free<br>
FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xW -heap-arrays 64 -fpp -free<br>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)<br>LIBS = $(INTEL_LIB)/libscalapack.a \<br> $(INTEL_LIB)/libblacs_init.a \<br> $(INTEL_LIB)/libblacs.a \<br>
$(INTEL_LIB)/libacml.a\<br> $(INTEL_LIB)/libacml_mv.a \<br> $(INTEL_LIB)/libfftw3.a<br><br>OBJECTS_ARCHITECTURE = machine_intel.o<br><br><br>graphcon.o: graphcon.F<br> $(FC) -c $(FCFLAGS2) $<<br>
<br>######################################################################################################<br><br><br><br><br>files in INTEL_LIB (/opt/intel/mkl//lib/intel64): <br>#################################################################################<br>
libmkl_avx2.so<br>libmkl_avx.so<br>libmkl_blacs_ilp64.a<br>libmkl_blacs_intelmpi_ilp64.a<br>libmkl_blacs_intelmpi_ilp64.so<br>libmkl_blacs_intelmpi_lp64.a<br>libmkl_blacs_intelmpi_lp64.so<br>libmkl_blacs_lp64.a<br>libmkl_blacs_openmpi_ilp64.a<br>
libmkl_blacs_openmpi_lp64.a<br>libmkl_blacs_sgimpt_ilp64.a<br>libmkl_blacs_sgimpt_lp64.a<br>libmkl_blas95_ilp64.a<br>libmkl_blas95_lp64.a<br>libmkl_cdft_core.a<br>libmkl_cdft_core.so<br>libmkl_core.a<br>libmkl_core.so<br>
libmkl_def.so<br>libmkl_gf_ilp64.a<br>libmkl_gf_ilp64.so<br>libmkl_gf_lp64.a<br>libmkl_gf_lp64.so<br>libmkl_gnu_thread.a<br>libmkl_gnu_thread.so<br>libmkl_intel_ilp64.a<br>libmkl_intel_ilp64.so<br>libmkl_intel_lp64.a<br>
libmkl_intel_lp64.so<br>
libmkl_intel_sp2dp.a<br>libmkl_intel_sp2dp.so<br>libmkl_intel_thread.a<br>libmkl_intel_thread.so<br>libmkl_lapack95_ilp64.a<br>libmkl_lapack95_lp64.a<br>libmkl_mc3.so<br>libmkl_mc.so<br>libmkl_p4n.so<br>libmkl_pgi_thread.a<br>
libmkl_pgi_thread.so<br>libmkl_rt.so<br>libmkl_scalapack_ilp64.a<br>libmkl_scalapack_ilp64.so<br>libmkl_scalapack_lp64.a<br>libmkl_scalapack_lp64.so<br>libmkl_sequential.a<br>libmkl_sequential.so<br>libmkl_vml_avx2.so<br>
libmkl_vml_avx.so<br>libmkl_vml_cmpt.so<br>libmkl_vml_def.so<br>libmkl_vml_mc2.so<br>libmkl_vml_mc3.so<br>libmkl_vml_mc.so<br>libmkl_vml_p4n.so<br>locale<br>#################################################################################</div>
</div><span><font color="#888888"><div><div><br>
<br clear="all"><br>-- <br><div>******************************************************************************<br>WANG Riping<br>Ph.D student, </div>
<div>Institute for Study of the Earth's Interior,Okayama University,<br>827 Yamada, Misasa, Tottori-ken 682-0193, Japan<br>Tel: <a href="tel:%2B81-858-43-3739" value="+81858433739" target="_blank">+81-858-43-3739</a>(Office), <a href="tel:%2B81-858-43-1215" value="+81858431215" target="_blank">+81-858-43-1215</a>(Inst)</div>
<div>E-mail: <a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a><br>******************************************************************************<br><br><br></div><br>
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