My CIS(D) calculation failed due to some memory issue. I try to do a simple sp calculation:
For a small molecule (C8H10), it finished successfully. However, when I tried a larger molecule (C16H18), it failed with the following error:
In TrnAlg: available memory = 155198092
needed mmory = 439204000
Q-Chem fatal error occurred in module 0, line 283:
Insufficient memory for semidirect MP2
It seems that the “available memory” is determined by “MEM_STATIC”, but the maximal value is 2000mb in qchem. Can anyone point me to possible ways to solve this problem? Thank you very much.