<div dir="ltr"><br><div>Hello,</div><div><br></div><div>I&#39;m trying to run this version of gromacs on</div><div>recently announced hardware and I&#39;m getting</div><div>a run-time error.  I was hoping someone could</div><div>point to where the error code is defined.</div><div><br></div><div>I suspect that it&#39;s not recognizing the topology</div><div>correctly (it&#39;s kind of a big machine).</div><div><br></div><div>Any hints would be appreciated.</div><div><br></div><div>Steve Walk</div><div>Cavium</div><div><br></div><div>




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<p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:15px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">OMP_NUM_THREADS=1 mpirun -np 20 gmx_mpi mdrun &lt;lots of args&gt;</span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:15px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><br></span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:15px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">Adding the -print-exit-codes option shows</span></p><p class="gmail-p1" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:15px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures"><br></span></p></div><div>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">===================================================================================</span></p>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">= <span class="gmail-Apple-converted-space">  </span>BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES</span></p>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">= <span class="gmail-Apple-converted-space">  </span>EXIT CODE: 6</span></p>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">= <span class="gmail-Apple-converted-space">  </span>CLEANING UP REMAINING PROCESSES</span></p>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">= <span class="gmail-Apple-converted-space">  </span>YOU CAN IGNORE THE BELOW CLEANUP MESSAGES</span></p>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">===================================================================================</span></p>
<p class="gmail-p2" style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-weight:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0);background-color:rgb(255,255,255)"><span class="gmail-s1" style="font-variant-ligatures:no-common-ligatures">[mpiexec@localhost.localdomain] Exit codes: [localhost.localdomain] 6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0</span></p>


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