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running interactive OK but PBS SIGSEV 
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Joined: Thu Jul 14, 2016 6:09 am
Posts: 34
University: POSTECH (Korea)
Post running interactive OK but PBS SIGSEV
Hi all,

this is a bit of a strange question but I have tried almost everything that comes to mind to no avail:

I have compiled QE 6.4.1 and EPW 5.1.0

Code:
     Program EPW v.5.1.0 starts on 14Aug2019 at  5:12:43

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on    32 processors


I can run qe interactively or from my PBS pro schedule without problem but I can only run EPW interactively; If I try to run it via qsub (even though it runs on the same physical machine) it crashes with the following

Code:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
epw.x              0000000000EF10C3  Unknown               Unknown  Unknown
libpthread-2.17.s  00007FF028350370  Unknown               Unknown  Unknown
epw.x              00000000004114E3  elphon_shuffle_wr         193  elphon_shuffle_wrap.f90
epw.x              000000000040BE4B  MAIN__                    150  epw.f90
epw.x              000000000040B1E2  Unknown               Unknown  Unknown
libc-2.17.so       00007FF027C9FB35  __libc_start_main     Unknown  Unknown
epw.x              000000000040B0E9  Unknown               Unknown  Unknown


this happens directly after the wannier90 output is echoed in the epw output; during the run the memory consumption is about 12 GB of 180 GB;

I have checked that the executable and mpirun are the same in both cases

Code:
/usr/local/qe-6.4.1-test_compiler/q-e/bin/pw.x
/usr/local/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/bin/mpiru


I wonder if anyone else has had a problem like this - any hint would be appreciated!

Best,
Chris


Tue Aug 13, 2019 8:25 pm
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