[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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