| 2:12:03 AM PST - Fri, Dec 21st 2012 |
|
EOM-CCSDT is indeed very expensive but I strongly believe this particular error message does not indicate that the calculation is "simply" running out of memory but suggests another problem.
I think my hypothesis is best indicated by the second set of calculations discussed above. Here calculations with a ARMCI_DEFAULT_SHMMAX value of global memory x cores (15300) crash during the first step of the ground state CCSDT step, while calculation with a much smaller ARMCI_DEFAULT_SHMMAX value (4096) successfully finishes the ground state CCSDT calculations and 15 EOM-CCSDT steps before crashing. This time with another error message, probably because ARMCI_DEFAULT_SHMMAX was smaller than global memory x cores.
|