Molcas Forum

chucksty

Member

From: Cambridge, UK

Registered: 2019-07-13

Posts: 26

Website

[SOLVED] Multiple warnings while runing the Cholesky decomposition

Hi Moolcas Team,

I am running a job with a pretty large basis set for all atoms (ANO-RCC) and have deployed the Cholesky decomposition scheme to deal with previous memory issue I was facing. The job is done now but looking at the log file, I can see a series of warning at different points of the decomposition scheme. I wanted to know if this can be fixed or if it has potentially affected my results.

**************************************************
MEMORY WARNING: use of FLUSH operation deprecated!
please contact the developer of this module and
ask him/her to fix this!
**************************************************

Regards
David

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,079

Re: [SOLVED] Multiple warnings while runing the Cholesky decomposition

No effect on the results.

chucksty

Member

From: Cambridge, UK

Registered: 2019-07-13

Posts: 26

Website

Re: [SOLVED] Multiple warnings while runing the Cholesky decomposition

Thanks