<div dir="ltr">Dear all,<br><span id="result_box" class="short_text" lang="en"><span class="hps">I have to</span> <span class="hps">stop</span> <span class="hps">a </span><span class="hps">dynamics in a clean way e.g. </span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">writing the</span> last step  </span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">trajectories and wavefunction</span></span></span></span> <span class="hps">files without </span></span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">corruption.<br></span></span></span></span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span class="hps">Can anyone</span> <span class="hps">suggest</span> <span class="hps">how?<br></span></span></span></span></span><br>I think that the 'kill -9 PID' </span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span id="result_box" class="short_text" lang="en"><span class="hps">command</span></span></span></span></span><span id="result_box" class="short_text" lang="en"><span class="hps"> would stop the calculation</span> <span class="hps">too</span> <span class="hps">abruptly.<br><br><br>Thanks<br><br>Daria</span></span><span id="result_box" class="short_text" lang="en"><span class="hps"><span id="result_box" class="short_text" lang="en"><span id="result_box" class="short_text" lang="en"><span class="hps"></span></span></span></span></span></div>