<div dir="ltr">Dear Andreas<div><br></div><div>Great!! </div><div><br></div><div>I think, it seems the install complete. and other version to.</div><div><br></div><div>Because, The error was not output the execution was as follows:<br></div><div>  $ module load mpi/intel-14.0/openmpi-1.8.1  <------ Do module load "intel / intel-14.0" is also automatically load.</div><div>  $ cd [cp2k_root]/tests/QS/benchmark</div><div>  $ mpirun -np 8 ../../../exe/Linux-x86-64-intel/cp2k.popt -i ./H2O-32.inp</div><div><br></div><div>so that output is shown below:</div><div><span class="Apple-tab-span" style="white-space: pre;"> </span>####many text result#########</div><div><span class="Apple-tab-span" style="white-space: pre;">      </span>#######ellipsis##############<br></div><div><br></div><div><div><div><span class="Apple-tab-span" style="white-space:pre">       </span>cp2k.popt          0000000000441DF2  Unknown               Unknown  Unknown</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>cp2k.popt          0000000000440536  Unknown               Unknown  Unknown</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>libc.so.6          00000035D2A1ED5D  Unknown               Unknown  Unknown</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>cp2k.popt          0000000000440429  Unknown               Unknown  Unknown</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>-------------------------------------------------------</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>Primary job  terminated normally, but 1 process returned</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>a non-zero exit code.. Per user-direction, the job has been aborted.</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>-------------------------------------------------------</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>--------------------------------------------------------------------------</div><div><span class="Apple-tab-span" style="white-space:pre">   </span>mpirun detected that one or more processes exited with non-zero status, thus causing</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>the job to be terminated. The first process to do so was:</div><div><br></div><div><span class="Apple-tab-span" style="white-space:pre">   </span>  Process name: [[61589,1],4]</div><div><span class="Apple-tab-span" style="white-space:pre">       </span>  Exit code:    174</div></div></div><div><br></div><div>The answer to the question:</div><div>   </div><div>1)</div><div><div>  $ldd [cp2k_root]/exe/Linux-x86-64-intel/cp2k.popt </div><div><span class="Apple-tab-span" style="white-space:pre">       </span>linux-vdso.so.1 =>  (0x00007fffdd986000)</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>libpthread.so.0 => /lib64/libpthread.so.0 (0x00000035d3200000)</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>libm.so.6 => /lib64/libm.so.6 (0x00000035d3600000)</div><div><span class="Apple-tab-span" style="white-space:pre">        </span>libmpi_usempif08.so.0 => /opt/mpi/intel-14.0/openmpi-1.8.1/lib/libmpi_usempif08.so.0 (0x00002b3d81063000)</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>libmpi_usempi_ignore_tkr.so.0 => /opt/mpi/intel-14.0/openmpi-1.8.1/lib/libmpi_usempi_ignore_tkr.so.0 (0x00002b3d81288000)</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>libmpi_mpifh.so.2 => /opt/mpi/intel-14.0/openmpi-1.8.1/lib/libmpi_mpifh.so.2 (0x00002b3d8148a000)</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>libmpi.so.1 => /opt/mpi/intel-14.0/openmpi-1.8.1/lib/libmpi.so.1 (0x00002b3d816df000)</div><div><span class="Apple-tab-span" style="white-space:pre">     </span>libc.so.6 => /lib64/libc.so.6 (0x00000035d2a00000)</div><div><span class="Apple-tab-span" style="white-space:pre">        </span>/lib64/ld-linux-x86-64.so.2 (0x00000035d2600000)</div><div><span class="Apple-tab-span" style="white-space:pre">     </span>libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00000035d9200000)</div><div><span class="Apple-tab-span" style="white-space:pre">        </span>libdl.so.2 => /lib64/libdl.so.2 (0x00000035d2e00000)</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>libnl.so.1 => /lib64/libnl.so.1 (0x00000035e9e00000)</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>librdmacm.so.1 => /usr/lib64/librdmacm.so.1 (0x00000031ffc00000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libosmcomp.so.3 => /usr/lib64/libosmcomp.so.3 (0x00000031ff400000)</div><div><span class="Apple-tab-span" style="white-space:pre">        </span>libibverbs.so.1 => /usr/lib64/libibverbs.so.1 (0x00002b3d81ccb000)</div><div><span class="Apple-tab-span" style="white-space:pre">        </span>libpsm_infinipath.so.1 => /usr/lib64/libpsm_infinipath.so.1 (0x00002b3d81eda000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libopen-rte.so.7 => /opt/mpi/intel-14.0.3/openmpi-1.8.1/lib/libopen-rte.so.7 (0x00002b3d8212e000)</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>libopen-pal.so.6 => /opt/mpi/intel-14.0.3/openmpi-1.8.1/lib/libopen-pal.so.6 (0x00002b3d82452000)</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>libnuma.so.1 => /usr/lib64/libnuma.so.1 (0x00002b3d82769000)</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>librt.so.1 => /lib64/librt.so.1 (0x00000035d3e00000)</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>libnsl.so.1 => /lib64/libnsl.so.1 (0x00000035e4800000)</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>libutil.so.1 => /lib64/libutil.so.1 (0x00000035e5200000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libifport.so.5 => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libifport.so.5 (0x00002b3d82973000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libifcore.so.5 => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libifcore.so.5 (0x00002b3d82ba2000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libimf.so => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libimf.so (0x00002b3d82ee3000)</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>libintlc.so.5 => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libintlc.so.5 (0x00002b3d833a6000)</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>libsvml.so => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libsvml.so (0x00002b3d835fc000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libifcoremt.so.5 => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libifcoremt.so.5 (0x00002b3d841f8000)</div><div><span class="Apple-tab-span" style="white-space:pre">      </span>libirng.so => /opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64/libirng.so (0x00002b3d84566000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libibumad.so.3 => /usr/lib64/libibumad.so.3 (0x00000031ff800000)</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>libinfinipath.so.4 => /usr/lib64/libinfinipath.so.4 (0x00002b3d8476e000)</div></div><div><br></div><div>2) $ which mpifort</div><div>    /opt/mpi/intel-14.0/openmpi-1.8.1/bin/mpifort</div><div><br></div><div>3) $ mpifort --version</div><div>      ifort (IFORT) 14.0.3 20140422</div><div>EOF</div><div><br></div><div><div>But I would like to create a module.</div><div>I will create only one?</div><div><br></div><div>ex)</div><div><div>#%Module 1.0</div><div><span class="Apple-tab-span" style="white-space:pre">       </span>#</div><div><span class="Apple-tab-span" style="white-space:pre">    </span>#  CP2K module</div><div><br></div><div><span class="Apple-tab-span" style="white-space:pre">     </span>set<span class="Apple-tab-span" style="white-space:pre"> </span>topdir<span class="Apple-tab-span" style="white-space:pre">              </span>[cp2k_root_path]</div><div><span class="Apple-tab-span" style="white-space:pre">     </span>set<span class="Apple-tab-span" style="white-space:pre"> </span>version<span class="Apple-tab-span" style="white-space:pre">             </span>2.6.2</div><div><br></div><div><br></div><div><br></div><div><span class="Apple-tab-span" style="white-space:pre">     </span>prepend-path <span class="Apple-tab-span" style="white-space:pre">               </span>PATH<span class="Apple-tab-span" style="white-space:pre">                </span>$topdir/exe/Linux-x86-64-intel</div><div><span class="Apple-tab-span" style="white-space:pre">       </span>prepend-path <span class="Apple-tab-span" style="white-space:pre">               </span>LD_LIBRARY_PATH<span class="Apple-tab-span" style="white-space:pre">     </span>$topdir/lib/Linux-x86-64-intel/popt</div><div><span class="Apple-tab-span" style="white-space:pre">  </span>module load mpi/intel-14.0/openmpi-1.8.1</div></div></div><div><br></div><div>Thank you for answer<br></div><div><br></div><div>Regards</div><div><br></div><div>Kwon</div><div><br></div></div>