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Dear Wien2k community,</div>
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I'm currently attempting to perform calculations using the Modified Becke-Johnson potential in WIEN2k24.1 and have encountered an issue during the execution.</div>
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<span style="font-weight: 600;">Steps Taken:</span></div>
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Completed PBE calculations successfully</div>
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Ran <span style="font-family: Menlo, "Roboto Mono", "Courier New", Courier, monospace, Inter, sans-serif; font-weight: 500;">
<code style="font-family: Menlo, "Roboto Mono", "Courier New", Courier, monospace, Inter, sans-serif;">init_mbj_lapw</code></span> without issues</div>
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<div style="line-height: 28.575px; margin: 0px;" role="presentation">Initiated MBJ calculation with
<span style="font-family: Menlo, "Roboto Mono", "Courier New", Courier, monospace, Inter, sans-serif; font-weight: 500;">
<code style="font-family: Menlo, "Roboto Mono", "Courier New", Courier, monospace, Inter, sans-serif;">run_lapw -p -i 1 -NI</code></span></div>
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<span style="font-family: Calibri, Helvetica, sans-serif; font-weight: 600;">The Problem:</span><span style="font-family: Calibri, Helvetica, sans-serif;"><br>
The calculation fails during the </span><span style="font-family: Menlo, "Roboto Mono", "Courier New", Courier, monospace, Inter, sans-serif; font-weight: 500;"><code style="font-family: Menlo, "Roboto Mono", "Courier New", Courier, monospace, Inter, sans-serif;">lapw2para</code></span><span style="font-family: Calibri, Helvetica, sans-serif;"> execution
with an MPI_ERR_TRUNCATE error. The key error messages are:</span></div>
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text</div>
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<pre style="margin: 0px; padding: 9.144px 13.716px;"><div style="text-align: left; text-indent: 0px; line-height: 20.1168px; white-space: pre-wrap; font-family: Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">** LAPW2 crashed!
[cn0137:21597] *** MPI_ERR_TRUNCATE: message truncated
[cn0137:21597] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort)</div></pre>
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<span style="font-weight: 600;">Additional Observations:</span></div>
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The error resembles a known issue in WIEN2k_23.2, but the previously suggested fix doesn't resolve it in v24.1</div>
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The crash occurs consistently at the same calculation stage</div>
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Thank you for your time and assistance. I'd be happy to provide any additional information that might help diagnose this issue.</div>
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Best regards,<br>
Sergeev Gregory</div>
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