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<p class="MsoNormal"><span lang="DE-CH">Hi all,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="DE-CH"><o:p> </o:p></span></p>
<p class="MsoNormal">I am performing calculations on Bismuth Ferrite thin film phases: run_lapw –p –i 400<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">In particular I tried to parallelized the program with mpi and K point parallelization. I have attached the job file (newjob) and the machines file (.machines).<o:p></o:p></p>
<p class="MsoNormal">Lapw1 runs fine.<o:p></o:p></p>
<p class="MsoNormal">It gives strange error while performing lapw2 step. All lapw2 error files are empty and even output looks ok.
<o:p></o:p></p>
<p class="MsoNormal">Log file (job.out) and the case.dayfile report the errors. I have attached the files.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoPlainText">Any help/advice would be highly appreciated.<o:p></o:p></p>
<p class="MsoNormal"><o:p></o:p></p>
<p class="MsoNormal">Regards,<o:p></o:p></p>
<p class="MsoNormal">Piyush Agrawal<o:p></o:p></p>
<p class="MsoNormal">EMPA, Dübendorf<o:p></o:p></p>
<p class="MsoNormal">Email – Piyush.agrawal@empa.ch<o:p></o:p></p>
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