What is this? ERROR ROTDIA

Message

ccccc · #1 Post by **ccccc** » Fri Nov 15, 2013 2:16 pm

Dear Admin

I wrote this problem before but couldnt get any answer from anybody so writing it again.

I am trying to to do B3LYP calculations and they give same error which i dont know what it is. Some of my calculations give it a few minutes after i submit them and some of them give it after 5 days. I searched but didnt find anything on web and forum.

The error is:
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95

Thank you

ccccc · #2 Post by **ccccc** » Fri Nov 15, 2013 2:57 pm

Also the bug report of the job is this:

ROT: 50 -0.711764536807E+05 -0.10063E+05 0.115E+02
ROT: 51 NaN NaNBRMIX: very serious problems
the old and the new charge density differ
old charge density: 104.00000 new***********
0.161E+06
gam= 0.333 g(H,U,f)= 0.111E+02 NaN NaN ort(H,U,f) = 0.840E-01 0.917E+01 0.118E+01
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95