<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;"><div>Dear Forum Members,</div><div><br></div><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><div><div style="margin: 0px; font-size: 11px; font-family: Menlo;"> wannier90-2.0.0/pwscf/v5.0</div></div><div><br></div><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><div><br></div><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><div><span style="font-size: 11px; font-family: Menlo;"><br></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></span></div><div><span style="font-size: 11px; font-family: Menlo;">Temok</span></div><div><span style="font-family: Menlo; font-size: 11px;"> </span></div><div><br></div><div><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></div><div><br></div></body></html>