TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: tayed on October 04, 2011, 03:01:21 PM

Title: problem with ricc2
Post by: tayed on October 04, 2011, 03:01:21 PM

Hi,

I'm starting with turbomole package, i'm trying to do two component ricc2 calculation, but 
i have this error message:

 internal module stack:
 ------------------------
    ricc2
    cc_solve_t0
    ccvecfun
    ccn5engine
 ========================

 I/O-error
 ricc2 ended abnormally

what is the error means and whow can I resolve this problem?

All suggestions are welcome, thanks in abvance.

Best regards,

Title: Re: problem with ricc2
Post by: janwahl on October 12, 2011, 01:40:20 PM

Hi,
we had teh same problem here...it seems that some variables are full..so the turbomolesupport suggested to use the i786 binaries...just check the manual how to force the sysname script/turbomole to use the i786 binaries

Best reegards

Jan

Title: Re: problem with ricc2
Post by: uwe on October 14, 2011, 12:01:07 PM

Hello,

Tayed: this is known and meanwhile fixed bug for larger two-component MP2 jobs when not enough memory has been provided. As far as I know you did get a fixed binary from the support.

Janwahl: the bug you are referring to occurred in the old Turbomole 6.0 version and only on some AMD CPU types. The error resulted from a problem with the highly optimized math core library of AMD (ACML). Newer versions of Turbomole use newer math libraries, and there is no reason to use 32bit binaries on 64bit systems any more.

Regards,

Uwe

Title: Re: problem with ricc2
Post by: janwahl on October 14, 2011, 03:13:20 PM

Hi,
thats correct...we had this error with turbomole 6.0 and AMD  only.