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Dear users,</div>
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I installed PWTK 3.0 in my environment of an HPC. I'm trying to run the calculation of eos.pwtk using the command 'mpirun pwtk eos.pwtk' but the estimator files are not generated.</div>
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My 'eos.pwtk' file contains:</div>
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<span style="color: rgb(0, 0, 0);">import NiO.pwtk<br>
eos_run my_input</span></p>
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The 'NiO.scf.out' file is generated but I also get an 'NiO.scf.out.error' file . When I open 'my_input.d' directory, I find that it only contains the following files:'my_input.estimator-1.in', 'my_input.estimator-1.out', 'my_input.estimator-1.out.error'.</div>
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'my_input.estimator-1.out' file contains only this line:</div>
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### Running on host: slurm-compute-h24d8-u13-svn2 </div>
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and 'my_input.estimator-1.out.error' file contains:</div>
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*** An error occurred in MPI_Init_thread</div>
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*** on a NULL communicator</div>
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*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,</div>
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*** and potentially your MPI job)</div>
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[slurm-compute-h24d8-u13-svn2:1009590] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!</div>
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Could you guide me on how to solve this problem please?</div>
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You'll find bellow a screenshot of the files used and generated.</div>
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Kind regards,</div>
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<img id="image_0" style="max-width: 619px;" size="12517" contenttype="image/png" data-outlook-trace="F:1|T:1" src="cid:ff727e61-cb1c-473f-98d7-468b1b75e222"></div>
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