Dear Hongwei, If you are compiling QE with intel parallel studio, you can also use: MPIF90=mpiifort and do not use openmpi.
In my opinion, the problem you mentioned is because of the therm "nstep = 0" in the input file, Best, Mohammad Shiraz University On Sat, Oct 12, 2019 at 11:29 PM 王宏伟 <wanghongwei0...@gmail.com> wrote: > Dear quantum-espresso developers and users， > > I encounter a weird problem to run QE6.4.1 recently. > I compile it with intel parallel studio 2017 and openmpi3.10. > I could install QE6.4.1 without any problems, but it crashes > immediately when I start parallel computing with pw.x. > The pw.x module does not perform electronic iteration, and > only reports error message " Primary job terminated normally, but 1 > process returned a non-zero exit code. Per user-direction, the job has been > aborted." > I have tried to adjust math libraries and compilers many times, but the > same > problem fails to be solved. The attachments are my input and output files > as > well as the make.inc file. I really appreciate it if you could help me > solve this > problem. > > Best Regards > > Hongwei > > Postdoctoral fellow > Department of Electrical & Computer Engineering, > University of Minnesota, Keller Hall, Minneapolis, MN 55455, USA > > > > > > > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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