CCSD(T) error


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Dear NWChem users
                             I am trying to perform single point CCSD(T)/aug-cc-pvtz calculations on some of my simple organic systems. but the calculations are terminating with error after a successful CCSD run. The error reads as "ga_create_JKblocked: X oper----
ga_create_JKblocked: cannot allocate 0

The section of the output file is as follows:


CCSD Energy
-----------
Reference energy: -303.778089724849906
CCSD corr. energy: -1.253125660595918
Total CCSD energy: -305.031215385445819
memory 235740206


                  • triples calculation*********

nkpass= 1; nvpass= 1; memdrv= 13331245; memtrn= 21099548; memavail= 235731773
memory available/node                      235731773
total number of virtual orbitals 401
number of virtuals per integral pass 401
number of integral evaluations 1
number of occupied per triples pass 21
number of triples passes 1

 ga_create_JKblocked: X oper
------------------------------------------------------------------------
ga_create_JKblocked: cannot allocate 0
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation

Any suggestion/help is appreciated.

Regards

Forum Vet
Please use more core/processes
Manu
The CCSD(T) code wis meant to run on large parallel computers.
Please use more processes if possible

Forum Vet
Please use more core/processes
Manu
The CCSD(T) code is meant to run on large parallel computers.
Please use more processes if possible


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