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<p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Dear experts,</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">I installed qe-7.2 with intel oneapi on ubuntu 22-04 running under wsl. When I run 'delta@LAPTOP-650A6EI8:~/qe-7.2/wannier90-3.1.0/examples/example08$ mpirun -np 2 pw.x <iron.scf > scf.out' I got the next message:</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Image PC Routine Line Source </span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px"><u><a href="http://libc.so/" rel="noopener noreferrer" target="_blank">libc.so</a></u></span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">.6 00007FC441C12520 Unknown Unknown Unknown</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Unknown 00007FFFFBFE27B8 Unknown Unknown Unknown</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">--------------------------------------------------------------------------</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Primary job terminated normally, but 1 process returned</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">a non-zero exit code. Per user-direction, the job has been aborted.</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">--------------------------------------------------------------------------</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Image PC Routine Line Source </span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px"><u><a href="http://libc.so/" rel="noopener noreferrer" target="_blank">libc.so</a></u></span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">.6 00007F0E2AE12520 Unknown Unknown Unknown</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Unknown 00007FFFD05B2538 Unknown Unknown Unknown</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">--------------------------------------------------------------------------</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">mpirun detected that one or more processes exited with non-zero status, thus causing</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">the job to be terminated. The first process to do so was:</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px"> Process name: [[16591,1],0]</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px"> Exit code: 174</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">When I run simply delta@LAPTOP-650A6EI8:~/qe-7.2/wannier90-3.1.0/examples/example08$ pw.x < iron.scf > scf.out I got</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">'pw.x:19850 terminated with signal 11 at PC=7fffc97b2b38 SP=7fffc97b29d8. Backtrace:</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">[0x7fffc97b2b38]'</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">The same problem was with delta@LAPTOP-650A6EI8:~/qe-7.2/wannier90-3.1.0/examples/example06$ mpirun -np 2 pw.x < copper.scf > scf.out and also without mpirun. But no problems turned out with silicon and diamond. In case of iron and copper scf.out information ended after the first iteration.</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 15.2px Menlo; color: #e3116c; background-color: #f6f6f6"><span style="font-weight: normal; font-style: normal; color: rgb(48, 48, 48); background-color: rgb(255, 255, 255);"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">I compiled qe 7.2 with </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">./configure </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">F90</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=mpiifort </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">MPIF90</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=mpiifort </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">CC</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=mpicc </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">CXX</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=icc </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">F77</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=mpiifort </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">LAPACK_LIBS</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=</span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">"-L</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">${MKLROOT}</span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl"</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px"> </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">BLAS_LIBS</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=</span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">"-L</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">${MKLROOT}</span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl"</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px"> </span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">SCALAPACK_LIBS</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(57, 58, 52);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">=</span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">"-L</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(54, 172, 170);"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">${MKLROOT}</span></span></span><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Menlo-Regular"><span class="size" style="font-size:15.2px">/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl"</span></span></span><span style="font-weight: normal; font-style: normal; color: rgb(48, 48, 48); background-color: rgb(255, 255, 255);"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px"> </span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">taken from <a href="https://pranabdas.github.io/espresso/setup/hpc" rel="noopener noreferrer" target="_blank"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px"><u>High Performance Computing • Quantum Espresso Tutorial (pranabdas.github.io)</u></span></span></span></a>. </span></span></span><br></p><div dir="auto"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">The same output was with qe 7.1.</span></span></span><br></div><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Could you kindly help me to resolve this issue,</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Regards,</span></span></span><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #000000; background-color: #ffffff; min-height: 18.4px"><br></p><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 16.0px Helvetica; color: #303030; background-color: #ffffff"><span style="font-weight: normal; font-style: normal;"><span class="font" style="font-family:Helvetica"><span class="size" style="font-size:16px">Serhi.</span></span></span><br></p><div dir="auto"><br></div> </body>
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