CCL: CCSD(T) with ORCA
- From: "Mozhi M"
<mozhdehmohammadpour()gmail.com>
- Subject: CCL: CCSD(T) with ORCA
- Date: Sun, 14 Sep 2014 04:10:53 -0400
Sent to CCL by: "Mozhi M" [mozhdehmohammadpour|,|gmail.com]
Dear CCL subscribers
I am trying to do a calculation CCSD(T) calculation with ORCA. but I got an
error on mcdi module. I appreciate any comment to how could I solve this
problem? Thanks in advance.
here is the error message
-----------------------
RI-FORMATION OF (ib|ac)
-----------------------
Max core memory to be used ... 10000 MB
Memory needed per MO ... 0.6 MB
# of MOs treated in a batch ... 10
# of batches needed ... 1
Data format used ... DOUBLE
done ( 2.567 sec)
Closing buffer KIA ( 0.06 GB; CompressionRatio= 1.00)
An error has occured in the MDCI module