<div dir="ltr"><p class="MsoNormal">Dear Forum,<o:p></o:p></p>

<p class="MsoNormal">I am getting the following error message (below) when attempting to
restart my NVE MD calculation.  The initial job (40K
timepoints, 0.5 fs steps) ran to completion, but my system was not fully
equilibrated.  I attempted to extend the
equilibration with another 20K points via a restart, but got the error
below.  I have attached my input and
output files for the restart job.  Is
there something I’m missing?<o:p></o:p></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New"">*******************************************************************************<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> *  
___                                                                       *<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> * 
/   \                                                                     
*<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> * [ABORT]                                                                    
*<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> * 
\___/      An invalid set of cell
vectors was specified. The determinant  
*<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> *   
|                            
det(h) is too small                        *<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> * 
O/|                                                                       
*<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> * /| |                                                                       
*<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> * / \                                                
subsys/cell_types.F:355 *<o:p></o:p></span></p>

<p class="MsoNormal" style="margin-bottom:0cm;margin-bottom:.0001pt;line-height:
normal;mso-layout-grid-align:none;text-autospace:none"><span style="font-size:
9.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New""> *******************************************************************************<o:p></o:p></span></p>

<p class="MsoNormal">Thank you,</p><p class="MsoNormal"><o:p></o:p></p>

<p class="MsoNormal">Jerry<o:p></o:p></p></div>