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Dear Temok,
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<div>There are different possible reasons for such an error, depending on which version of Quantum Espresso you are using.</div>
<div>In particular, after the release of Wannier90 2.0, the QE code has changed some internal details, and therefore the pw2wannier90.f90 file that we provide is not working anymore with the most recent SVN version of QE. </div>
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<div>However, it should work with QE 5.0.2 patched with the 5.0.3 patch that you can find on the QE website.</div>
<div>Could you try to use the 5.0.2 + 5.0.3 patch of Quantum Espresso (if you are not using it already) together with the pw2wannier90.f90 file provided with Wannier90 2.0, and report us if the problem is solved?</div>
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<div>Thanks,</div>
<div>Giovanni</div>
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<div>-- </div>
<div>Giovanni Pizzi<br>
Post-doctoral Research Scientist<br>
EPFL STI IMX THEOS<br>
MXC 340 (Bātiment MXC)<br>
Station 12<br>
CH-1015 Lausanne (Switzerland)<br>
Phone: +41 21 69 31124<br>
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<div>On 26 Mar 2014, at 03:04, Cuauhtemoc Salazar wrote:</div>
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<div>Dear Forum Members,</div>
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<div>I am having problems to work out the examples provided in the <span style="font-family: Menlo; font-size: 11px;">wannier90-2.0.0 distribution that require the updated pw2wannier90.f90 code, which is provided by wannier90 at </span></div>
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<div style="margin: 0px; font-size: 11px; font-family: Menlo;"> wannier90-2.0.0/pwscf/v5.0</div>
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<div>Firstly, I successfully reproduced examples 01 to 05 using the original pw2wanier90.f90 code provided within QEspresso_5.0.2 (such example does *not* require the updated version of pw2wannier90, but I started with this simpler example before moving to
the actual example of my interest, example18 --Berry curvature).</div>
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<div>Then, following </div>
<div><span style="font-family: Menlo; font-size: 11px;"> wannier90-2.0.0/pwscf/README</span></div>
<div>I did the replacement</div>
<div>cp <span style="font-family: Menlo; font-size: 11px;">wannier90-2.0.0/pwscf/v5.0/</span><span style="font-family: Menlo; font-size: 11px;">pw2wannier90.f90
</span><span style="font-family: Menlo; font-size: 11px;">espresso-5.0.2/PP/src/.</span></div>
<div><span style="font-family: Menlo; font-size: 11px;"><br>
</span></div>
<div><span style="font-family: Menlo; font-size: 11px;">and re-built the PP part of QE:</span></div>
<div><span style="font-family: Menlo; font-size: 11px;">cd </span><span style="font-family: Menlo; font-size: 11px;">~/</span><span style="font-family: Menlo; font-size: 11px;">espresso-5.0.2/PP</span></div>
<div><span style="font-family: Menlo; font-size: 11px;">make pp</span></div>
<div><span style="font-family: Menlo; font-size: 11px;"><br>
</span></div>
<div><font face="Menlo"><span style="font-size: 11px;">Then I tried to reproduce (again) the </span></font><span style="font-family: Menlo; font-size: 11px;">wannier90-2.0.0/examples/example05</span></div>
<div><font face="Menlo"><span style="font-size: 11px;">(</span></font><span style="font-size: 11px; font-family: Menlo;">running pw2wannier90 </span><span style="font-size: 11px; font-family: Menlo;">with the same number of processors as </span><span style="font-size: 11px; font-family: Menlo;">pw.x,</span></div>
<div><span style="font-family: Menlo; font-size: 11px;"> as indicated in the w90 tutorial guide, page 10</span><span style="font-size: 11px; font-family: Menlo;">)</span></div>
<div><span style="font-size: 11px; font-family: Menlo;">but got a number of errors, appended at the end of this message.</span></div>
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</span></div>
<div><span style="font-size: 11px; font-family: Menlo;">I wonder if someone could have an advice to solve this,</span></div>
<div><span style="font-size: 11px; font-family: Menlo;">With regards,</span></div>
<div><span style="font-size: 11px; font-family: Menlo;"><br>
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<div><span style="font-size: 11px; font-family: Menlo;">Temok</span></div>
<div><span style="font-family: Menlo; font-size: 11px;"> </span></div>
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<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] *** Process received signal ***</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] Signal: Segmentation fault (11)</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] Signal code: Address not mapped (1)</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] Failing at address: (nil)</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 0] /lib64/libpthread.so.0() [0x30de60f710]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 1] /lib64/libc.so.6(memcpy+0x35) [0x31a0289985]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 2] /home/temok/opt/openmpi-1.6.5/build-gcc/lib/libmpi.so.1(opal_convertor_pack+0x196) [0x7fbca07d61a6]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 3] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_btl_sm.so(mca_btl_sm_sendi+0x23d) [0x7fbc9c7d065d]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 4] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_pml_ob1.so(mca_pml_ob1_send_request_start_copy+0xb4) [0x7fbc9cfeeff4]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 5] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_pml_ob1.so(mca_pml_ob1_isend+0x4b0) [0x7fbc9cfe7350]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 6] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_coll_tuned.so(ompi_coll_tuned_bcast_intra_generic+0x323) [0x7fbc9b91d2a3]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 7] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_coll_tuned.so(ompi_coll_tuned_bcast_intra_binomial+0xd8) [0x7fbc9b91d638]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 8] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_coll_tuned.so(ompi_coll_tuned_bcast_intra_dec_fixed+0xcc) [0x7fbc9b91505c]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [ 9] /home/temok/opt/openmpi-1.6.5/build-gcc/./lib/openmpi/mca_coll_sync.so(mca_coll_sync_bcast+0x78) [0x7fbc9bb2b6b8]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [10] /home/temok/opt/openmpi-1.6.5/build-gcc/lib/libmpi.so.1(MPI_Bcast+0x130) [0x7fbca073c3b0]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [11] /home/temok/opt/openmpi-1.6.5/build-gcc/lib/libmpi_f77.so.1(pmpi_bcast+0x7e) [0x7fbca0a935be]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [12] ../../../QEspresso/espresso-5.0.2/bin/pw2wannier90.x(bcast_integer_+0x192) [0x60d742]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [13] ../../../QEspresso/espresso-5.0.2/bin/pw2wannier90.x(__mp_MOD_mp_bcast_iv+0x97) [0x5feff7]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [14] ../../../QEspresso/espresso-5.0.2/bin/pw2wannier90.x(read_nnkp_+0x1bbf) [0x44220f]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [15] ../../../QEspresso/espresso-5.0.2/bin/pw2wannier90.x(MAIN__+0x9c9) [0x447b49]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [16] ../../../QEspresso/espresso-5.0.2/bin/pw2wannier90.x(main+0x2a) [0x72267a]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [17] /lib64/libc.so.6(__libc_start_main+0xfd) [0x31a021ed1d]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] [18] ../../../QEspresso/espresso-5.0.2/bin/pw2wannier90.x() [0x42b819]</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">[panther2:46075] *** End of error message ***</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">--------------------------------------------------------------------------</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">mpirun noticed that process rank 0 with PID 46075 on node XXXXXXXX exited on signal 11 (Segmentation fault).</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;">--------------------------------------------------------------------------</div>
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