[QE-users] PW/examples/EXX_example failed to run.

[Hongyi Zhao]

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>