Hi all,<div><br /></div><div>I cant figure out how to restart a calculation that is partway through a reftraj trajectory without it starting at the beginning. I know I can just change the FIRST_SNAPSHOT, but I need to requeue a lot in my cluster since I get preempted a lot, so it needs to do it automatically. Any help would be appreciated! This is the input file I'm submitting and is a test system using Si.</div><div><br /></div>
<p> &MOTION</p>
<p> &MD</p>
<p> ENSEMBLE REFTRAJ</p>
<p>STEP_START_VAL 2</p>
<p> STEPS 10</p>
<p> TIMESTEP 1</p>
<p> TEMPERATURE 100</p>
<p>&REFTRAJ</p>
<p> EVAL_FORCES</p>
<p>FIRST_SNAPSHOT 1</p>
<p>STRIDE 2</p>
<p>TRAJ_FILE_NAME Si.xyz</p>
<p>&END</p>
<p>&END</p>
<p> &PRINT</p>
<p> &RESTART SILENT</p>
<p> &EACH</p>
<p> MD 1</p>
<p> &END EACH</p>
<p> &END RESTART</p>
<p> &END PRINT</p>
<div>&END </div><div>&DFT</div><div>...</div><div>&END</div><div>
<p>&SUBSYS</p>
<p> &CELL</p>
<p>CELL_FILE_FORMAT CIF</p>
<p>CELL_FILE_NAME Si.cif</p>
<p>MULTIPLE_UNIT_CELL 1 1 1</p>
<p> &END CELL</p>
<p>&TOPOLOGY</p>
<p>COORD_FILE_FORMAT XYZ</p>
<p>COORD_FILE_NAME Si.xyz</p>
<p>MULTIPLE_UNIT_CELL 1 1 1</p>
<p>&END</p>
<p> &KIND Si</p>
<p> BASIS_SET DZVP-MOLOPT-GTH</p>
<p> POTENTIAL GTH-PBE-q4</p>
<p> &END KIND</p>
<p> &END SUBSYS</p>
<p> &PRINT</p>
<p> &FORCES SILENT</p>
<p> FILENAME =Frc_nvt.dat</p>
<p> &END FORCES</p>
<p> &END PRINT</p>
<p>&END FORCE_EVAL</p>
<p>&EXT_RESTART</p>
<p>RESTART_COUNTERS TRUE</p>
<p>&END</p></div>
<p></p>
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