[Wien] error while calculating DOS

Madhav Ghimire ghimire.mpg at gmail.com
Thu May 10 04:40:39 CEST 2012


Dear Wien2k users,
     I am performing AFM calculations using the spin-polarized method
(without using the symmetry operation) and the scf cycles converge without
error. Now after saving the scf file, when I initiated with the DOS
calculations in parallel mode, I got following error given below.

forrtl: severe (24): end-of-file during read, unit 30, file
/data1/ghimire123/Calculation_wien2k/naiou/naiozzx/naiozzx.energysoup
Image              PC                Routine            Line        Source
lapw2c             0000000000533041  Unknown               Unknown  Unknown
lapw2c             0000000000532015  Unknown               Unknown  Unknown
lapw2c             00000000004DDCEA  Unknown               Unknown  Unknown
lapw2c             0000000000499535  Unknown               Unknown  Unknown
lapw2c             0000000000498D2A  Unknown               Unknown  Unknown
lapw2c             00000000004B9B6E  Unknown               Unknown  Unknown
lapw2c             000000000043D4BE  fermi_                     43
fermi_tmp_.F
lapw2c             0000000000472523  MAIN__                    278
lapw2_tmp_.F
lapw2c             0000000000403E2C  Unknown               Unknown  Unknown
libc.so.6          00002AFDB116F184  Unknown               Unknown  Unknown
lapw2c             0000000000403D59  Unknown               Unknown  Unknown
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
forrtl: severe (24): end-of-file during read, unit 30, file
/data1/ghimire123/Calculation_wien2k/naiou/naiozzx/naiozzx.energysodn
Image              PC                Routine            Line        Source
lapw2c             0000000000533041  Unknown               Unknown  Unknown
lapw2c             0000000000532015  Unknown               Unknown  Unknown
lapw2c             00000000004DDCEA  Unknown               Unknown  Unknown
lapw2c             0000000000499535  Unknown               Unknown  Unknown
lapw2c             0000000000498D2A  Unknown               Unknown  Unknown
lapw2c             00000000004B9B6E  Unknown               Unknown  Unknown
lapw2c             000000000043D4BE  fermi_                     43
fermi_tmp_.F
lapw2c             0000000000472523  MAIN__                    278
lapw2_tmp_.F
lapw2c             0000000000403E2C  Unknown               Unknown  Unknown
libc.so.6          00002B6FD973A184  Unknown               Unknown  Unknown
lapw2c             0000000000403D59  Unknown               Unknown  Unknown
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
forrtl: severe (24): end-of-file during read, unit 4, file
/data1/ghimire123/Calculation_wien2k/naiou/naiozzx/naiozzx.qtlup
Image              PC                Routine            Line        Source
tetra              00000000004A40D1  Unknown               Unknown  Unknown
tetra              00000000004A30A5  Unknown               Unknown  Unknown
tetra              000000000045676A  Unknown               Unknown  Unknown
tetra              000000000041C165  Unknown               Unknown  Unknown
tetra              000000000041B95A  Unknown               Unknown  Unknown
tetra              00000000004354CE  Unknown               Unknown  Unknown
tetra              00000000004064A6  MAIN__                    158  tetra.f

1,1           Top
I am wondering how these error occurs as for FM I did not get such errors.
I observed the files like *case.energysodn and case.energysoup* are empty
when rest of their daughther files ( I mean case.energysodn_1 to ...dn_52
or case.energysoup_1 to ...up_52) are filled with datas. In the meantime,
case.qtlup and qtldn are also empty.
May I request your kind attention to sort out this problem.

Thanks in advance
M. P. Ghimire
NIMS
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120510/afa47b34/attachment.htm>


More information about the Wien mailing list