[DFTB-Plus-User] output statement overflows record

[Szendrő Márton]

Dear All,

I am trying to calculate the bandstructure of a very large system (circa 30
000 atoms) on a supercomputer cluster with MPI. (ifort 16.0.1, intel mpi
5.1.2, MKL 2016.1.150).
I am wondering whether i reached some sort of physical limitations here, or
is it a bug, because i got the following error during the run:

forrtl: severe (66): output statement overflows record, unit -132, file
/Lustre01/home/szendro/phd/hopg/dftb/rigid/dftb_pin.hsd
Image              PC                Routine            Line        Source
dftb+_dev          0000000000E7E3A9  Unknown               Unknown  Unknown
dftb+_dev          0000000000ECA9A9  Unknown               Unknown  Unknown
dftb+_dev          0000000000EC7B53  Unknown               Unknown  Unknown
dftb+_dev          0000000000665C00  hsdparser_MP_dump         867
hsdparser.f90
dftb+_dev          0000000000666D4A  hsdparser_MP_dump         933
hsdparser.f90
dftb+_dev          0000000000666D96  hsdparser_MP_dump         935
hsdparser.f90
dftb+_dev          000000000066574C  hsdparser_MP_dump         836
hsdparser.f90
dftb+_dev          0000000000665502  hsdparser_MP_dump         811
hsdparser.f90
dftb+_dev          0000000000B711DB  parser_MP_parsehs         172
parser.f90
dftb+_dev          000000000040998D  MAIN__                     29
dftbplus.f90
dftb+_dev          000000000040919E  Unknown               Unknown  Unknown
libc.so.6          00000033F021ED1D  Unknown               Unknown  Unknown
dftb+_dev          00000000004090A9  Unknown               Unknown  Unknown

I was able to succesfully run the code for 1204 atoms, so i guess the
problem is related to the size of the system.

Any help would be greatly appreciated.

Best regards,
Marton Szendro
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20180702/fd1e61b1/attachment.htm>