[QE-users] Error in Calculating the d2ns_bare matrix in ph.x

[Timrov Iurii]

Dear Mohaddeseh,


Please check the posting guidelines:

https://www.quantum-espresso.org/forum


In particular, you should tell us which version of QE do you use, provide input and output files (e.g. via Google Drive), tell us how do you run the job (how many cores, how many k pools, etc.), which compilers and libraries do you use.


But my guess is that your job crashes because you do not have enough RAM.


Greetings,

Iurii


--
Dr. Iurii TIMROV
Postdoctoral Researcher
STI - IMX - THEOS and NCCR - MARVEL
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Mohad Abbasnejad <mohaddeseh.abbasnejad at gmail.com>
Sent: Thursday, October 1, 2020 9:03:12 PM
To: Quantum ESPRESSO users Forum
Subject: [QE-users] Error in Calculating the d2ns_bare matrix in ph.x

Hello QE users
When I am trying to calculate the d2ns_bare matrix for LDA+U phonon calculation of my structure, I am faced with this error:

     Calculating the d2ns_bare matrix. It might take a while!
     k point #     1   out of   224
     k point #     2   out of   224
     k point #     3   out of   224
     k point #     4   out of   224
     k point #     5   out of   224
     k point #     6   out of   224
     k point #     7   out of   224
     k point #     8   out of   224
     k point #     9   out of   224
     k point #    10   out of   224
     k point #    11   out of   224
     k point #    12   out of   224
     k point #    13   out of   224
     k point #    14   out of   224
     k point #    15   out of   224
     k point #    16   out of   224
     k point #    17   out of   224
     k point #    18   out of   224
     k point #    19   out of   224
     k point #    20   out of   224
     k point #    21   out of   224
     k point #    22   out of   224
     k point #    23   out of   224
     k point #    24   out of   224
     k point #    25   out of   224
     k point #    26   out of   224
     k point #    27   out of   224
     k point #    28   out of   224
     k point #    29   out of   224
     k point #    30   out of   224
     k point #    31   out of   224
     k point #    32   out of   224
     k point #    33   out of   224
     k point #    34   out of   224
     k point #    35   out of   224
     k point #    36   out of   224
     k point #    37   out of   224
     k point #    38   out of   224
     k point #    39   out of   224
     k point #    40   out of   224
     k point #    41   out of   224
     k point #    42   out of   224
     k point #    43   out of   224
     k point #    44   out of   224
     k point #    45   out of   224
     k point #    46   out of   224
     k point #    47   out of   224
     k point #    48   out of   224
     k point #    49   out of   224
     k point #    50   out of   224
     k point #    51   out of   224
     k point #    52   out of   224
     k point #    53   out of   224
     k point #    54   out of   224
     k point #    55   out of   224
     k point #    56   out of   224
     k point #    57   out of   224
     k point #    58   out of   224
     k point #    59   out of   224
     k point #    60   out of   224
     k point #    61   out of   224
     k point #    62   out of   224
     k point #    63   out of   224
     k point #    64   out of   224
     k point #    65   out of   224
     k point #    66   out of   224
     k point #    67   out of   224
     k point #    68   out of   224
     k point #    69   out of   224
     k point #    70   out of   224
     k point #    71   out of   224
     k point #    72   out of   224
     k point #    73   out of   224
     k point #    74   out of   224
     k point #    75   out of   224
     k point #    76   out of   224
     k point #    77   out of   224
     k point #    78   out of   224
     k point #    79   out of   224
     k point #    80   out of   224
     k point #    81   out of   224
     k point #    82   out of   224
     k point #    83   out of   224
     k point #    84   out of   224
     k point #    85   out of   224
     k point #    86   out of   224
     k point #    87   out of   224
     k point #    88   out of   224
     k point #    89   out of   224
     k point #    90   out of   224
Application 2461263 exit codes: 174
Application 2461263 exit signals: Killed
Application 2461263 resources: utime ~48102s, stime ~486s, Rss ~326644, inblocks ~0, outblocks ~183880

Any comments would be appreciated.

Thank you in advance.
Mohaddeseh


--
---------------------------------------------------------
Mohaddeseh Abbasnejad,
Assistant Professor of Physics,
Faculty of Physics,
Shahid Bahonar University of Kerman,
Kerman, Iran
P.O. Box 76169-133
Tel: +98 34 31322199
Fax: +98 34 33257434
Cellphone: +98 917 731 7514
E-Mail:     mohaddeseh.abbasnejad at gmail.com<mailto:mohaddeseh.abbasnejad at gmail.com>
Website:  academicstaff.uk.ac.ir/moabbasnejad<http://academicstaff.uk.ac.ir/moabbasnejad>
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