<div dir="ltr">Hello,<div>I have compiled cp2k-2.4 on Centos OS 6, this is a custom built system. We installed <a href="http://software.intel.com/en-us/intel-cluster-studio-xe" target="_blank" style="color: rgb(17, 85, 204); font-family: arial, sans-serif;">http://software.<span class="il" style="background-color: rgb(255, 255, 204); color: rgb(34, 34, 34); background-position: initial initial; background-repeat: initial initial;">intel</span>.com/en-<wbr>us/<span class="il" style="background-color: rgb(255, 255, 204); color: rgb(34, 34, 34); background-position: initial initial; background-repeat: initial initial;">intel</span>-cluster-studio-xe</a>. Our ARCH file is below, no errors compiling. When running the test files in the QS folder, we received the error segmentation fault. We used gdb to help find the error (below). Could someone please help us fix this?</div><div><br></div><div><div>INTEL_MKL = ~/Shared/intel/mkl</div><div>INTEL_INC = /home/cormackgroup/Shared/intel/composer_xe_2013_sp1.0.080/mkl/interfaces/fftw3xf</div><div>INTEL_LIB = $(INTEL_MKL)/lib/intel64/</div><div><br></div><div>CC = mpicc </div><div>CPP = cpp </div><div>FC = mpiifort -FR </div><div>LD = mpiifort -mkl </div><div>AR = ar -r</div><div>DFLAGS = -D__INTEL -D__FFTMKL -D__FFTW3 -D__parallel -D__BLACS -D__SCALAPACK</div><div>CPPFLAGS = -C -traditional $(DFLAGS) -I$(INTEL_INC)</div><div>FCFLAGS = $(DFLAGS) -I$(INTEL_INC) -FR -O2 -xhost -heap-arrays -fpp -free -g #-check bounds -fp-stack-check -check arg_temp_created</div><div>FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -FR -O1 -xhost -heap-arrays -fpp -free -g #-check bounds -fp-stack-check -check arg_temp_created</div><div>LDFLAGS = $(FCFLAGS) -I$(INTEL_INC)</div><div>LIBS =-L/home/cormackgroup/Shared/intel/composer_xe_2013_sp1.0.080/mkl/interfaces/fftw3xf -lfftw3 #/home/cormackgroup/Archive/scalapack-2.0.2/libscalapack.a \</div><div> </div><div><span class="Apple-tab-span" style="white-space:pre"> </span> </div><div><br></div><div>#/home/cormackgroup/Archive/scalapack-2.0.2/libscalapack.a</div><div># home/cormackgroup/Shared/intel/mkl/lib/intel64/libmkl_scalapack_lp64.a -mkl</div><div>#/home/cormackgroup/Shared/intel/mkl/lib/intel64/libmkl_blacs_lp64.a </div><div><br></div><div>OBJECTS_ARCHITECTURE = machine_intel.o</div><div><br></div><div><br></div><div>graphcon.o: graphcon.F</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>$(FC) -c $(FCFLAGS2) $<</div></div><div> </div><div><br></div><div><br></div><div><br></div><div><br></div><div>Reported Error: The matrix is empty?</div><div><br></div><div><br></div><div><div><font color="#1155cc" face="arial, sans-serif">Program received signal SIGSEGV, Segmentation fault.</font></div><div><font color="#1155cc" face="arial, sans-serif">0x000000000240bc2f in DBCSR_INDEX_OPERATIONS::transpose_index_local (new_col_p=..., new_row_i=..., old_row_p=Cannot access memory at address 0x1</font></div><div><font color="#1155cc" face="arial, sans-serif">) at /home/cormackgroup/Simulation.01/cp2k-2.4.0/makefiles/../src/dbcsr_lib/dbcsr_index_operations.F:904</font></div><div><font color="#1155cc" face="arial, sans-serif">904<span class="Apple-tab-span" style="white-space:pre"> </span> CALL dbcsr_sort_indices (nblks, new_col_i, new_row_i, new_blk_p)</font></div><div><font color="#1155cc" face="arial, sans-serif">Missing separate debuginfos, use: debuginfo-install glibc-2.12-1.107.el6_4.4.x86_64 libgcc-4.4.7-3.el6.x86_64</font></div><div><font color="#1155cc" face="arial, sans-serif">(gdb) quit</font></div><div><font color="#1155cc" face="arial, sans-serif">A debugging session is active.</font></div><div><font color="#1155cc" face="arial, sans-serif"><br></font></div><div><font color="#1155cc" face="arial, sans-serif"><span class="Apple-tab-span" style="white-space:pre"> </span>Inferior 1 [process 5513] will be killed.</font></div><div><font color="#1155cc" face="arial, sans-serif"><br></font></div><div><font color="#1155cc" face="arial, sans-serif">Quit anyway? (y or n) y </font></div><div><font color="#1155cc" face="arial, sans-serif">[cormackgroup@n01ib0 QS]$ ./cp2k.popt -i C.inp -o C1.out</font></div><div><font color="#1155cc" face="arial, sans-serif">forrtl: severe (174): SIGSEGV, segmentation fault occurred</font></div><div><font color="#1155cc" face="arial, sans-serif">Image PC Routine Line Source </font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 00000000026E5579 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 00000000026E3EF0 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000002674A42 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000002625133 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000262936B Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">libpthread.so.0 0000003B8DA0F500 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000240BC2F Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 00000000024CB483 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000249210B Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000248F240 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 00000000004170A2 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000001369991 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 00000000009EAB09 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000001D2E498 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000000AD25FD Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000000ACED47 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000090545C Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000000922EF0 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000054BDF1 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000040DDFD Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 000000000040B9DD Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000000406FF2 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 00000000004060D6 Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">libc.so.6 0000003B8D21ECDD Unknown Unknown Unknown</font></div><div><font color="#1155cc" face="arial, sans-serif">cp2k.popt 0000000000405FC9 Unknown Unknown Unknown</font></div></div></div>