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Dear Stefan<br>
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I did an installation of QE 6.2 in a workstation with dual processors hyperthreaded 10 core each running Ubuntu version 16.04 Mate.<br>
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I did it using gnu compilers, mpich2 for mpi, and intel mkl. <br>
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It runs in parallel without any problems except for relativistic DOS calculations which for some reason only works using netlib math libraries. I can send you in few days the make file and the procedure.<br>
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I used the same procedure in installing many versions without any problems even in a cluster running on red hat linux. I always observe near linear scaling with core count.
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Yasser Al Wahedi <br>
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Assistant Professor <br>
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Khalifa University <br>
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Get <a href="https://aka.ms/ghei36">Outlook for Android</a></div>
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From: Stefan Seidl<br>
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Sent: Thursday, 4 January, 19:02<br>
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Subject: [Pw_forum] Installing Quantum Espresso version 6.2 with GFORTRAN and OPENMPI2<br>
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To: pw_forum@pwscf.org<br>
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Dear all,<br>
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can anyone confirm a successful installation of Quantum Espresso version 6.2 on a supercomputer by using gfortran and OpenMPI2 and afterwards running a parallel job successful.<br>
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I did the installation "for the impatient" (configure finds gfortran over mpif90):<br>
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./configure<br>
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make all<br>
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Afterwards running a job, provides following message in my output file filename.out:<br>
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--------------------------------------------------------------------------<br>
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mpiexec noticed that process rank 26 with PID 9977 on node node0389 exited on signal 11 (Segmentation fault).<br>
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--------------------------------------------------------------------------<br>
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Nothing else is written in my outfile. Where could be the mistake ?<br>
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But I installed Quantum Espresso version 6.1 "for the impatient":<br>
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./configure<br>
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make all<br>
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Running the same job (as in version 6.2) with the 6.1 binary was successful.<br>
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Best,<br>
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Stefan Seidl<br>
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