[Pw_forum] What are 'forrtl: severe (59):' means
潘登
panda.deng.pan at gmail.com
Wed Jan 7 09:47:22 CET 2009
Dear All,
Thanks for your help before but I still couldn't work yet.There is
something wrong in my input and I tried to find out but failed.
Here is the error message:
forrtl: severe (59): list-directed I/O syntax error, unit -5, file
Internal List-Directed Read
Image PC Routine Line
Source
pw.x 4000000000CEFA50 Unknown Unknown Unknown
pw.x 4000000000CED560 Unknown Unknown Unknown
pw.x 4000000000BD1610 Unknown Unknown Unknown
pw.x 4000000000B125D0 Unknown Unknown Unknown
pw.x 4000000000B11520 Unknown Unknown Unknown
pw.x 4000000000B50980 Unknown Unknown Unknown
pw.x 4000000000168910 Unknown Unknown Unknown
pw.x 4000000000165970 Unknown Unknown Unknown
pw.x 4000000000253F90 Unknown Unknown Unknown
pw.x 400000000024C280 Unknown Unknown Unknown
pw.x 4000000000006A50 Unknown Unknown Unknown
pw.x 40000000000068D0 Unknown Unknown Unknown
libc.so.6.1 200000000588BC20 Unknown Unknown Unknown
pw.x 4000000000006700 Unknown Unknown Unknown
And also my input is
&control
calculation = 'scf'
restart_mode='from_scratch'
prefix='BaNiAs',
pseudo_dir = '/disk2/xgwan/Quantum-Espresso/espresso-4.0.3/pseudo/',
outdir='/disk2/xgwan/tmp/'
/
&system
ibrav= 7 ,celldm(1) = 7.7702 , celldm(3) = 2.806, nat= 10, ntyp= 3,
ecutwfc =18.0
/
&electrons
mixing_beta = 0.7
conv_thr = 1.0d-8
/
ATOMIC_SPECIES
Ba Ba.pw91-nsp-van.UPF
Ni NiUS.RRKJ3.UPF
As As.gon.UPF
ATOMIC_POSITIONS
Ba 0.0000 0.0000 0.0000
Ni 0.5000 0.0000 0.2500
Ni 0.0000 0.5000 0.2500
As 0.0000 0.0000 0.3476
As 0.0000 0.0000 -0.3476
K_POINTS (automatic)
2 2 2 0 0 0
I have no idea what to do.Is that possible the problem is I used
improper psudopotential?
Thanks
Pan Deng
Nanjing University
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