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Dear all,</div>
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I wanted to compute the phonon frequencies for FeSO4 x 4H2O at the gamma point at the DFT + U level. However, the calculation keeps on crashing at the same mode (i.e. Representation # 115 mode # 117). ph.x does not show any error but my cluster's error file
states:</div>
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cpu-bind=MASK - cn044, task 0 0 [80073]: mask 0xffffffffffffffff set
<div>mlx5: cn053.scarf.rl.ac.uk: got completion with error:</div>
<div>00000000 00000000 00000000 00000000</div>
<div>00000000 00000000 00000000 00000000</div>
<div>00000019 00000000 00000000 00000000</div>
<div>00000000 00008813 08027c5f 678857d3</div>
<span>[[55717,1],192][btl_openib_component.c:3645:handle_wc] from cn053 to: cn054 error polling LP CQ with status REMOTE ACCESS ERROR status number 10 for wr_id 3f7e980 opcode 1 vendor error 136 qp_idx 0</span><br>
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<span>The same calculation at the LDA level (without Hubbard U) completed without any problems. </span></div>
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<span>I have attached the pw.x and ph.x input and output files for the DFT + U calculation. Any help to resolve this issue would be very much appreciated.</span></div>
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<span>Many thanks and all the best,</span></div>
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<span>Johannes Meusburger</span></div>
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ISIS/Diamond/University of Exeter</div>
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