[QE-users] PW/examples/EXX_example failed to run.
Paolo Giannozzi
p.giannozzi at gmail.com
Thu Apr 30 09:36:48 CEST 2020
It works for me, but there was an uninitialized variable when old file
formats are read. Should be fixed now. Thank you for reporting this.
Paolo
On Thu, Apr 30, 2020 at 6:20 AM Hongyi Zhao <hongyi.zhao at gmail.com> wrote:
> Hi,
>
> This q-e git develop version compiled with
> parallel_studio_xe/2020.0.088 on Ubuntu 19.10. Failed to pass the
> PW/examples/EXX_example. Some the error messages are as follows:
>
> =============
> Backtrace for this error:
> #0 0x7f4271162cb1 in ???
> #1 0x7f4271161e75 in ???
> #2 0x7f4270e0146f in ???
> #3 0x55675c97636f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x55675c7b3a0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x55675c5190c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x55675c5a368e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x55675c46a4bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x55675c46a1be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> done
> cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done
> running carbon atom..
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
>
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0 0x7f4053bd2cb1 in ???
> #1 0x7f4053bd1e75 in ???
> #2 0x7f405387146f in ???
> #3 0x5619063ce36f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x56190620ba0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x561905f710c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x561905ffb68e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x561905ec24bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x561905ec21be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> #0 0x7fa482ec4cb1 in ???
> #1 0x7fa482ec3e75 in ???
> #2 0x7fa482b6346f in ???
> #3 0x55b22c58c36f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x55b22c3c9a0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x55b22c12f0c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x55b22c1b968e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x55b22c0804bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x55b22c0801be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> done
> cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done
> running nitrogen atom..
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0 0x7f6227f08cb1 in ???
> #1 0x7f6227f07e75 in ???
> #2 0x7f6227ba746f in ???
> #3 0x55faa514d36f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x55faa4f8aa0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x55faa4cf00c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x55faa4d7a68e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x55faa4c414bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x55faa4c411be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> done
> cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done
> running n2 molecule..
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0 0x7fec06aa9cb1 in ???
> #1 0x7fec06aa8e75 in ???
> #2 0x7fec0674846f in ???
> #3 0x55f159b1d36f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x55f15995aa0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x55f1596c00c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x55f15974a68e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x55f1596114bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x55f1596111be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> done
> cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done
> running co molecule..
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0 0x7f905b6ddcb1 in ???
> #1 0x7f905b6dce75 in ???
> #2 0x7f905b37c46f in ???
> #3 0x561d99d0d36f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x561d99b4aa0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x561d998b00c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x561d9993a68e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x561d998014bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x561d998011be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> done
> cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done
> running o2 molecule..
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0 0x7f5a7d467cb1 in ???
> #1 0x7f5a7d466e75 in ???
> #2 0x7f5a7d10646f in ???
> #3 0x5627517b936f in __upf_auxtools_MOD_upf_check_atwfc_norm
> at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91
> #4 0x5627515f6a0b in __read_pseudo_mod_MOD_readpp
> at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293
> #5 0x56275135c0c4 in iosys_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554
> #6 0x5627513e668e in run_pwscf_
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91
> #7 0x5627512ad4bb in pwscf
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106
> #8 0x5627512ad1be in main
> at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40
> done
> cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done
>
>
> /home/werner/Public/hpc/q-e/q-e.git/PW/examples/EXX_example : done
>
> =============
>
> Any hints for this problem?
>
> Regards
> --
> Hongyi Zhao <hongyi.zhao at gmail.com>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200430/62bf915b/attachment.html>
More information about the users
mailing list