<div dir="ltr">Dear jianzhifu,<div><br></div><div> Adding to Glen's answer: You naturally also need a library for BLACS as well (SCALAPACK uses blacs for the communication). In MKL the blacs library to choose depends on which implementation of MPI you are using (you see it in the filename of the blacs library; this is because internally blacs needs to know which internal signalling is used for the MPI communication). Also, you try to link both "libmkl_sequential.{a,so}" and "libmkl_intel_thread.{a,so}"; to my understanding this doesn't make sense but they are two equivalent libraries for the same external function but internally one uses threads (usually when using hybrid MPI+OpenMP parallellisation) or not (MPI-only).</div>
<div><br></div><div> Hopefully this helps something. Good Luck. :)</div><div><br></div><div> Greetings from Lausanne,</div><div><br></div><div> apsi</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">
2013/12/28 <span dir="ltr"><<a href="mailto:jian...@gmail.com" target="_blank">jian...@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr"><div><br></div><div>linux OS: ubuntu 13.10-64</div><div>intel fortran compiler : ifort (IFORT) 14.0.1 20131008 with MKL </div><div>libint-2.0.3</div><div>libxc-2.0.2</div><div>openmpi-1.6.5</div><div><br></div>
<div>when I compile cp2k, there are some errors.</div><div>how can I deal with it? Thanks</div><div><br></div><div>this is the Linux-x86-64-intel.popt</div><div><br></div><div>##########################################################</div>
<div>CC = icc</div><div>CPP =</div><div>FC = mpif90</div><div>LD = mpif90</div><div>AR = ar -r</div><div>INTEL_MKL=/opt/intel/mkl</div><div>INTEL_INC = $(INTEL_MKL)/include/fftw</div><div>INTEL_LIB = $(INTEL_MKL)/lib/intel64</div>
<div>DFLAGS = -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 -D__LIBINT -D_LIBXC2</div><div>CPPFLAGS =</div><div>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O3 -msse2 -heap-arrays 64 -funroll-loops -fpp -free</div>
<div>FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -msse2 -heap-arrays 64 -fpp -free</div><div>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)</div><div>LIBS = -Wl,--start-group -L${INTEL_LIB} -lmkl_blas95_lp64 -lmkl_lapack95_lp64 \</div>
<div>-lmkl_sequential -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_intel_thread \</div><div>$(INTEL_MKL)/interfaces/fftw3xf/libfftw3xf_intel.a -Wl,--end-group \</div><div>/usr/local/libint/2.0.3-stable/lib/libint2.a \</div>
<div>/home/myu1310/work/cp2k/libxc/libxcforme/lib/libxc.a \</div><div>-lstdc++ -lm -lpthread -liomp5</div><div><br></div><div><br></div><div>OBJECTS_ARCHITECTURE = machine_intel.o</div><div><br></div><div><br></div><div>
graphcon.o: graphcon.F</div><div> $(FC) -c $(FCFLAGS2) $<</div><div><br></div><div>##########################################################</div><div><br></div><div>this is the error:</div><div>##############################################################################</div>
<div><br></div><div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_lib.a(library_tests.o)：In the function‘library_tests_mp_cp_fm_gemm_test_’:</div><div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../src/library_tests.F:(.text+0x1a669)：undefined reference to‘pilaenv_’</div>
<div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_lib.a(qs_linres_op.o)：In the function‘qs_linres_op_mp_fm_scale_by_pbc_ac_’:</div><div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../src/qs_linres_op.F:(.text+0x3fc7)：undefined reference to‘indxl2g_’</div>
<div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../src/qs_linres_op.F:(.text+0x408b)：undefined reference to‘indxl2g_’</div><div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_lib.a(cp_cfm_basic_linalg.o)：In the function‘cp_cfm_basic_linalg_mp_cp_cfm_lu_decompose_’:</div>
<div><br></div><div>......</div><div>......</div><div>......</div><div><br></div><div><div>/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_lib.a(qs_localization_methods.o):/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../src/qs_localization_methods.F:(.text+0x10aef): more undefined references to `pzrot_' follow</div>
<div>make[1]: *** [/home/myu1310/work/cp2k/cp2k-2.4.0/makefiles/../exe/Linux-x86-64-intel/cp2k.popt] error 1</div><div>make[1]: `/home/myu1310/work/cp2k/cp2k-2.4.0/obj/Linux-x86-64-intel/popt'</div><div>make: *** [build] error 2</div>
</div><span class="HOEnZb"><font color="#888888"><div><br></div><div><br></div></font></span></div><span class="HOEnZb"><font color="#888888">
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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br>-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br> Ari P Seitsonen / <a href="mailto:Ari.P.S...@iki.fi">Ari.P.S...@iki.fi</a> / <a href="http://www.iki.fi/~apsi/">http://www.iki.fi/~apsi/</a><br>
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