My Community

Hi,

A user at the an Diego Supercomputer Center reports the this error with his IBRION=8 calculation with vasp 5.4.4:

internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to call with LRESET

The executables continue to run but no more output is produced.

The input and stdout and stderr files are in the attached tar file.

Thanks,

Jerry

Hi,
I did not find the stdout in the attached tar file. Could you send it as well?
In the meantime, I will try to reproduce this issue using vasp.5.4.4 and vasp.6.x

Actually, I am able to reproduce this issue with vasp.5.4.4 but not using the latest vasp.6 version.
In this case, I would recommend the user to consider upgrading their license to vasp.6 if they want to use IBRION=8 (DFPT driver).
Alternatively, he might consider using IBRION=6 (finite differences driver).

I thought I tried vasp 6.4.2 and got the same thing but I'll try it again ( I also changed I ibrion to 6 )

Thanks

Jerry