<div dir="ltr">Dear All,<div> I'm trying to run a QMMM simulation using the AMBER package and the DFT but I get the following error:</div><div> </div>
<p class="p2"><span class="s1"> **********************************************************************</span></p>
<p class="p2"><span class="s1"> *** 21:28:15 ERRORL2 in topology:connectivity_control processor 0  ***</span></p>
<p class="p2"><span class="s1"> *** err=-300 condition FAILED at line 319                          ***</span></p>
<p class="p2"><span class="s1"> **********************************************************************</span></p><p class="p1"><span class="s1"></span></p>
<p class="p2"><span class="s1"> ===== Routine Calling Stack ===== </span></p>
<p class="p1"><span class="s1"></span><br></p>
<p class="p2"><span class="s1">            6 connectivity_control</span></p>
<p class="p2"><span class="s1">            5 topology_control</span></p>
<p class="p2"><span class="s1">            4 fist_init</span></p>
<p class="p2"><span class="s1">            3 fist_create_force_env</span></p>
<p class="p2"><span class="s1">            2 qmmm_create_force_env</span></p>
<p class="p2"><span class="s1">            1 CP2K</span></p>
<p class="p2"><span class="s1"> CP2K| condition FAILED at line 319</span></p>
<p class="p2"><span class="s1"> CP2K| Abnormal program termination, stopped by process number 0</span></p>
<p class="p2"><span class="s1"> CP2K| condition FAILED at line 319</span></p>
<p class="p2"><span class="s1"> CP2K| Abnormal program termination, stopped by process number 2</span></p>
<p class="p2"><span class="s1"> CP2K| condition FAILED at line 319</span></p>
<p class="p2"><span class="s1"> CP2K| Abnormal program termination, stopped by process number 5</span></p>
<p class="p2"><span class="s1"> CP2K| condition FAILED at line 319</span></p>
<div> CP2K| Abnormal program termination, stopped by process number 3  </div><div><br></div><div><br></div><div>Does anybody can help me?</div><div>The input (cp2k.inp) and the script to launch the simulation (cp2k_local.sh) are attached.<br></div><div><br></div><div>Best regards to all,</div><div>Marco Alfieri   </div></div>