<div dir="ltr">I tried to compile cp2k with <i>ifort 13.0.1, </i>fftw and mkl provided by <b>intel</b>.<br>configuration file looks like:<br><br><div><div><i><span class="Apple-tab-span" style="white-space:pre">               </span>PERL     = perl</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">         </span>CPP      = #cpp</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">                </span>AR       = ar -r</i></div><div><span class="Apple-tab-span" style="white-space:pre"><i>               </i></span></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>INTEL_MKL=/gpfsHOME/apps/intel/composer_xe_2013.1.117/composer_xe_2013.1.117/mkl</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>INTEL_INC=$(INTEL_MKL)/include/fftw</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">               </span>INTEL_LIB=$(INTEL_MKL)/lib/intel64</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">                </span>CC=mpiicc</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">         </span>FC=mpiifort</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">               </span>LD=mpiifort</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">               </span>CXX=mpiicpc</i></div><div><span class="Apple-tab-span" style="white-space:pre"><i>               </i></span></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>LIBXC_LIB=/gpfsHOME/home/asamtsevich/app/libxc/lib</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">                </span>LIBXC_INC=/gpfsHOME/home/asamtsevich/app/libxc/include</i></div><div><span class="Apple-tab-span" style="white-space:pre"><i>            </i></span></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>DFLAGS=-D__INTEL -D__FFTSG -D__FFTW3 -D__FFTMKL -D__parallel -D__BLACS  -D__SCALAPACK -D__LIBXSTREAM -<span class="Apple-tab-span" style="white-space:pre">             </span>D__HAS_ISO_C_BINDING -D__USE_CP2K_TRACE -DNDEBUG</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">               </span>FFTW_LIB=/gpfsHOME/apps/fftw/lib</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>FFTW_INC=/gpfsHOME/apps/fftw/include</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">              </span>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -O2 -xHost -heap-arrays 64 -fpp -free -pc 64 -convert big_endian</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">               </span>LDFLAGS = $(FCFLAGS) -static-intel</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">                </span>MKL_LIB=/gpfsHOME/apps/intel/composer_xe_2013.1.117/composer_xe_2013.1.117/mkl/lib/intel64</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">                </span>LIBS = -L$(INTEL_LIB) -lfftw3xf_intel -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_scalapack_lp64 -<span class="Apple-tab-span" style="white-space:pre">           </span>lmkl_blacs_intelmpi_lp64</i></div><div><i><span class="Apple-tab-span" style="white-space:pre">          </span>OBJECTS_ARCHITECTURE = machine_intel.o</i></div></div><div><i><br></i></div><div>And I got error:<br>







<p class="p1"><span class="Apple-tab-span" style="white-space:pre">   </span>/tmp/ifortMFleX8.i: catastrophic error: **Internal compiler error: segmentation violation signal raised** Please report <span class="Apple-tab-span" style="white-space:pre">    </span>this error along with the circumstances in which it                occurred in a Software Problem Report.  Note: File and line given may <span class="Apple-tab-span" style="white-space:pre">  </span>not be explicit cause of this error.</p><p class="p1"><span class="Apple-tab-span" style="white-space:pre">        </span>compilation aborted for /gpfsHOME/home/asamtsevich/cp2k/cp2k/src/dbcsr/data/dbcsr_ptr_util.F (code 1)</p><p class="p1"><span class="Apple-tab-span" style="white-space:pre">       </span>make[3]: *** [dbcsr_ptr_util.o] Error 1</p><p class="p1"><span class="Apple-tab-span" style="white-space:pre">     </span>make[3]: *** Waiting for unfinished jobs....</p><p class="p1"><span class="Apple-tab-span" style="white-space:pre">        </span>make[2]: *** [all] Error 2</p><p class="p1"><span class="Apple-tab-span" style="white-space:pre">  </span>make[1]: *** [popt] Error 2</p><p class="p1"><span class="Apple-tab-span" style="white-space:pre"> </span>make: *** [all] Error 2</p></div><div><br></div><div>I've seen similar problem <a href="https://groups.google.com/forum/#!msg/cp2k/-EFK_bjThHs/MGAVJemFDgAJ">here</a>.<br><br>I hope it's easy to fix.<br>Any comments | ideas | suggestion are welcomes. <br><br>Thanks in advance.</div><div><br></div></div>