[Pw_forum] q2r.x error.

Li yan-ling ylli at theory.issp.ac.cn
Thu Feb 28 09:06:56 CET 2008


Dear all users,
  When I performed the electron-phonon calculation, the errors happened as
follows.
-------------------------------------------------------------------------
forrtl: severe (59): list-directed I/O syntax error, unit 51, file
/storage/SCSI/st12/home/user/isspzz/work/ylli/pwscf/ReN/new/test/a2Fq2r.51
Image              PC                Routine            Line        Source
    CPU time   : 394830.47 sec.
    Max Memory :      1063 MB
    Max Swap   :      2320 MB

    Max Processes  :        22
    Max Threads    :        22

The output (if any) follows:

forrtl: severe (59): list-directed I/O syntax error, unit 51, file
/storage/SCSI/st12/home/user/isspzz/work/ylli/pwscf/ReN/new/test/a2Fq2r.51
Image              PC                Routine            Line        Source
q2r.x              00000000007BC213  Unknown               Unknown  Unknown
q2r.x              00000000007BA54E  Unknown               Unknown  Unknown
q2r.x              00000000007925DE  Unknown               Unknown  Unknown
q2r.x              0000000000755BD6  Unknown               Unknown  Unknown
q2r.x              0000000000755837  Unknown               Unknown  Unknown
q2r.x              000000000076C5D5  Unknown               Unknown  Unknown
q2r.x              0000000000411888  Unknown               Unknown  Unknown
q2r.x              000000000040FC70  Unknown               Unknown  Unknown
q2r.x              000000000040B514  Unknown               Unknown  Unknown
q2r.x              00000000004092EA  Unknown               Unknown  Unknown
libc.so.6          0000002A95BD967A  Unknown               Unknown  Unknown
q2r.x              000000000040922A  Unknown               Unknown  Unknown
forrtl: severe (24): end-of-file during read, unit 61, file
/storage/SCSI/st12/home/user/isspzz/work/ylli/pwscf/ReN/new/test/a2Fmatdyn.61
Image              PC                Routine            Line        Source
matdyn.x           00000000007D2F13  Unknown               Unknown  Unknown
matdyn.x           00000000007D124E  Unknown               Unknown  Unknown
matdyn.x           00000000007A92CE  Unknown               Unknown  Unknown
matdyn.x           000000000076C8C6  Unknown               Unknown  Unknown
matdyn.x           000000000076C527  Unknown               Unknown  Unknown
matdyn.x           0000000000782916  Unknown               Unknown  Unknown
matdyn.x           00000000004103C4  Unknown               Unknown  Unknown
matdyn.x           000000000040B25C  Unknown               Unknown  Unknown
matdyn.x           00000000004092EA  Unknown               Unknown  Unknown
libc.so.6          0000002A95BD967A  Unknown               Unknown  Unknown
matdyn.x           000000000040922A  Unknown               Unknown  Unknown
forrtl: severe (24): end-of-file during read, unit 61, file
/storage/SCSI/st12/home/user/isspzz/work/ylli/pwscf/ReN/new/test/a2Fmatdyn.61
Image              PC                Routine            Line        Source
matdyn.x           00000000007D2F13  Unknown               Unknown  Unknown
matdyn.x           00000000007D124E  Unknown               Unknown  Unknown
matdyn.x           00000000007A92CE  Unknown               Unknown  Unknown
matdyn.x           000000000076C8C6  Unknown               Unknown  Unknown
matdyn.x           000000000076C527  Unknown               Unknown  Unknown
matdyn.x           0000000000782916  Unknown               Unknown  Unknown
matdyn.x           00000000004103C4  Unknown               Unknown  Unknown
matdyn.x           000000000040B25C  Unknown               Unknown  Unknown
matdyn.x           00000000004092EA  Unknown               Unknown  Unknown
libc.so.6          0000002A95BD967A  Unknown               Unknown  Unknown
matdyn.x           000000000040922A  Unknown               Unknown  Unknown
---------------------------------------------------
  By checking the output file 'q2r.out', I know the errors from the q2r.x
program. For example,
.........................
.........................
Dynamical  Matrix in cartesian axes

     q = (    0.000000000  -0.288675135  -0.236569803 )

  1  1
 89.36769217  0.00000000    0.00000000  0.00000000    0.00000000  0.00000000
  0.00000000  0.00000000   89.39381871  0.00000000   -0.01004736  0.00000000
  0.00000000  0.00000000   -0.01004736  0.00000000   89.38396315  0.00000000
  1  2
  0.00000000************    0.00000000  0.00000000    0.00000000  0.00000000
  0.00000000  0.00000000    0.00000000************    0.00000000 -0.00300097
  0.00000000  0.00000000    0.00000000 -0.00300097    0.00000000************
  1  3
 44.65732502-50.41210189    0.00000000  0.00000000    0.00000000  0.00000000
  0.00000000  0.00000000   44.65839582-50.41300456   50.40129204-44.66012171
  0.00000000  0.00000000   50.39697063-44.65959080   44.66166361-50.41463893
  1  4
 50.41210182-44.65732510    0.00000000  0.00000000    0.00000000  0.00000000
  0.00000000  0.00000000   50.41300449-44.65839590   44.66012163-50.40129211
  0.00000000  0.00000000   44.65959072-50.39697070   50.41463886-44.66166369
  2  1
  0.00000000************    0.00000000  0.00000000    0.00000000  0.00000000
  0.00000000  0.00000000    0.00000000************    0.00000000  0.00300097
  0.00000000  0.00000000    0.00000000  0.00300097   0.00000000************
..........................
......................

  That is to say, there are uncorrect data in a2Fq2r.51. I want to know
the reason that results in these errors. I'm looking forward to solving
it with your help.

  Thanks in advance.


Yanling Li.







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