Hello everybody,
I encountered a major problem when running a large ZORA spin-orbit calculation.
After completing the SCF cycles, the job aborted with something like
25 ErrMat 0.00001202 MaxEl -0.00000073
26 ErrMat 0.00000675 MaxEl 0.00000070
SCF converged
27 ErrMat 0.00000615 MaxEl -0.00000035
CIO_ERROR cio_llwrite: lseek failed (TAPE15_0,fd=10,rec=526321)
CIO_ERROR cio_llwrite: lseek failed (TAPE13_0,fd=3,rec=1)
WARNING: not all scratch files were closed
END
The calculation had created several very large (one > 2 GB) files before
exiting. The same error was detected (on an identical job) both on a Linux
box running RedHat 8.0 (ext3 file system) and an IBM SP4. Since I have not
been able to find help on CIO errors, I am kindly asking help from the community.
Thanks!
Received on 2003-05-05 15:43:08