[QE-users] Error in ph.x calculation

[deepti rajpoot]

Dear Users
I am facing a problem during phonon calculation at gamma point as well as
in phonon dispersion for 20 atom cell with Hubbard U corrections using QE
6.5/6.6/7.0. It is printing d2ns_bare matrix as bellow

     Calculating the d2ns_bare matrix. It might take a while!
     k point #     1   out of    72
     k point #     2   out of    72
     k point #     3   out of    72
     k point #     4   out of    72
     k point #     5   out of    72
     k point #     6   out of    72
     k point #     7   out of    72
     k point #     8   out of    72
     k point #     9   out of    72
     k point #    10   out of    72
     k point #    11   out of    72
     k point #    12   out of    72
     k point #    13   out of    72
     k point #    14   out of    72
     k point #    15   out of    72
     k point #    16   out of    72
     k point #    17   out of    72
     k point #    18   out of    72
     k point #    19   out of    72
     k point #    20   out of    72
     k point #    21   out of    72
     k point #    22   out of    72
     k point #    23   out of    72
     k point #    24   out of    72
     k point #    25   out of    72
     k point #    26   out of    72
     k point #    27   out of    72
     k point #    28   out of    72
     k point #    29   out of    72
     k point #    30   out of    72
     k point #    31   out of    72
     k point #    32   out of    72
     k point #    33   out of    72
     k point #    34   out of    72
     k point #    35   out of    72
     k point #    36   out of    72
     k point #    37   out of    72
     k point #    38   out of    72
     k point #    39   out of    72
     k point #    40   out of    72
     k point #    41   out of    72
     k point #    42   out of    72
     k point #    43   out of    72
     k point #    44   out of    72
     k point #    45   out of    72
     k point #    46   out of    72
     k point #    47   out of    72
     k point #    48   out of    72
     k point #    49   out of    72
     k point #    50   out of    72
     k point #    51   out of    72
     k point #    52   out of    72
     k point #    53   out of    72
     k point #    54   out of    72
     k point #    55   out of    72
     k point #    56   out of    72
     k point #    57   out of    72
     k point #    58   out of    72
     k point #    59   out of    72
     k point #    60   out of    72
     k point #    61   out of    72
     k point #    62   out of    72
     k point #    63   out of    72
     k point #    64   out of    72
     k point #    65   out of    72
     k point #    66   out of    72
     k point #    67   out of    72
     k point #    68   out of    72
     k point #    69   out of    72
     k point #    70   out of    72
     k point #    71   out of    72
     k point #    72   out of    72
     PHONON       :   2d 7h16m CPU   2d 8h18m WALL



     Representation #   1 mode #   1

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =     3.9014E-02    -2.1176E-22

and then showing the following error with 6.6

/pfshome/drajpoot/.bashrc: line 34: ulimit: stack size: cannot modify
limit: Operation not permitted
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
ph.x               0000000000F521A3  Unknown               Unknown  Unknown
libpthread-2.17.s  00007F407D861100  Unknown               Unknown  Unknown
ph.x               000000000077C62D  Unknown               Unknown  Unknown
ph.x               0000000000791035  Unknown               Unknown  Unknown
ph.x (deleted)     000000000078D1B2  Unknown               Unknown  Unknown
ph.x               0000000000788608  Unknown               Unknown  Unknown
ph.x (deleted)     00000000004C3DCA  Unknown               Unknown  Unknown
ph.x               00000000004A7096  Unknown               Unknown  Unknown
ph.x               000000000040FE74  do_phonon_                104
 do_phonon.f90
ph.x (deleted)     000000000040A0EE  Unknown               Unknown  Unknown
ph.x               000000000040A022  Unknown               Unknown  Unknown
libc-2.17.so       00007F407D1B0B15  __libc_start_main     Unknown  Unknown
ph.x               0000000000409F29  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred


error in 7.0
/pfshome/drajpoot/.bashrc: line 34: ulimit: stack size: cannot modify
limit: Operation not permitted
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
ph.x               0000000001025A8D  Unknown               Unknown  Unknown
libpthread-2.17.s  00007F1DEC98D100  Unknown               Unknown  Unknown
ph.x               0000000000D55B5D  Unknown               Unknown  Unknown
ph.x               0000000000D3876D  dgcxc_                    312
 xc_wrapper_d_gga.f90
ph.x               0000000000641CA0  Unknown               Unknown  Unknown
ph.x (deleted)     000000000049B8C8  Unknown               Unknown  Unknown
ph.x               0000000000463C38  initialize_ph_             79
 initialize_ph.f90
ph.x               000000000040CA49  Unknown               Unknown  Unknown
ph.x               00000000004071AF  Unknown               Unknown  Unknown
ph.x (deleted)     000000000040711E  Unknown               Unknown  Unknown
libc-2.17.so       00007F1DEC2DCB15  __libc_start_main     Unknown  Unknown
ph.x               0000000000407029  Unknown               Unknown  Unknown

I tried changing the number of processors and also checked the ulimit, it
is already unlimited.
Kindly help me regarding this problem.

Thank you

Yours Sincerely,
Deepti Rajpoot
Research Scholar
Indian Institute of Science Education and Research Bhopal
Bhopal, Madhya Pradesh,
India
ᐧ
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