TURBOMOLE Users Forum

TURBOMOLE Modules => Ridft, Rdgrad, Dscf, Grad => Topic started by: yuniawan on May 10, 2016, 05:45:02 AM

Title: error of main call to DSYEVD
Post by: yuniawan on May 10, 2016, 05:45:02 AM

Dear all
my calculation with ion in water turn error with message is "error of main call to DSYEVD"
can anyone help me to overcome this situation. I run with Turbomole version 5.9. thanks

Title: Re: error of main call to DSYEVD
Post by: uwe on May 10, 2016, 12:10:50 PM

Hello,

DSYEVD is a linear algebra routine. It is hard to judge where the error comes from without seeing the output and probably the input. The input can be sent to the Turbomole support if you do not what to place it on a public forum like this one here.

My first guess for this quite old Turbomole version is that you ran a small input in parallel on too many CPUs ??

Regards,

Uwe