[Wien] lapw2c unknown error

Azadeh Beiranvand beiranvand.azadeh at yahoo.com
Tue Mar 12 10:34:43 CET 2013


dear all wien users
I have encountered a problem in mini program for Cu2ZnGeSe4 structure.(my parameters are:rkmax=6,kpoint=52 and structure is tetragonal with I-4 space group)

when i put convergence on force,after some cycles this error occurs:

in cycle 14    ETEST: .0000125200000000   CTEST: .0012684
LAPW0 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW2 - FERMI; weighs written
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source 
lapw2c             0000000000461391  l2main_                   892  l2main_tmp_.F

lapw2c             0000000000474C8C  MAIN__                    564  lapw2_tmp_.F
lapw2c             0000000000403CCC  Unknown               Unknown  Unknown
libc.so.6          0000003D6921ECDD  Unknown               Unknown  Unknown
lapw2c             0000000000403BC9  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source 
lapw2c             0000000000461391  l2main_                   892  l2main_tmp_.F
lapw2c             0000000000474C8C  MAIN__                    564  lapw2_tmp_.F
lapw2c             0000000000403CCC  Unknown               Unknown  Unknown
libc.so.6          0000003D6921ECDD  Unknown               Unknown  Unknown
lapw2c             0000000000403BC9  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source 
lapw2c             0000000000461391  l2main_                   892  l2main_tmp_.F
lapw2c             0000000000474C8C  MAIN__                    564  lapw2_tmp_.F
lapw2c             0000000000403CCC  Unknown               Unknown  Unknown
libc.so.6          0000003D6921ECDD  Unknown               Unknown  Unknown
lapw2c             0000000000403BC9  Unknown               Unknown  Unknown
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source 
lapw2c             0000000000461391  l2main_                   892  l2main_tmp_.F
lapw2c             0000000000474C8C  MAIN__                    564  lapw2_tmp_.F
lapw2c             0000000000403CCC  Unknown               Unknown  Unknown
libc.so.6          0000003D6921ECDD  Unknown               Unknown  Unknown
lapw2c             0000000000403BC9  Unknown               Unknown  Unknown
cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory

>   stop error
---------------------------------------------------------------------------------------------------------------
error files contain this massage: "testerror: Error in Parallel LAPW2"
also when i do not use parallel calculation again this error appears.
best wishes.
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