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<body class='hmmessage'><div dir='ltr'>Dear all,<div><br></div><div>I am running a phonon dispersion simulation.</div><div><br></div><div>My scf calculation was done without errors. K_POINTS were set as 9 9 3 0 0 0,</div><div><br></div><div>and the simulation was running on 16 processors (4:4).</div><div><br></div><div>Right after I started the ph.x simulation with nq1=6, nq2=6, nq3=6, it crashed with an error message,</div><div><br></div><div>----------------------------------------------------------------------------------------------------</div><div><div><br></div><div><br></div><div> Parallel version (MPI), running on 16 processors</div><div><br></div><div> R & G space division: proc/pool = 16</div><div><br></div><div> Ultrasoft (Vanderbilt) Pseudopotentials</div><div><br></div><div> Info: using nr1, nr2, nr3 values from input</div><div><br></div><div> Info: using nr1s, nr2s, nr3s values from input</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div> from checkallsym : error # 3</div><div><br></div><div> not orthogonal operation</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div> stopping ...</div><div><br></div></div><div>-------------------------------------------------------------------------------------------------------------</div><div><br></div><div>I looked up for the similar issues, but there was no problems like this with 'ph.x' simulation.</div><div><br></div><div>Please suggest me any solutions.</div><div><br></div><div>Thank you.</div><div><br></div><div><br></div> </div></body>
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