[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.
More information about the users
mailing list