CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue


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More CPUs, still failed
In the hope of reducing the memory requirement on each core, I tested the job with 200 cores (increased 160 cores). However, it seems the computer could not allocate the correct amount of memory for MA. For example, the memory line reads:
Quote:username
memory stack 900 mb heap 200 mb global 4300 mb

but the error message shows:
Quote:username
tce_ao2e: fast2e=1
half-transformed integrals in memory

2-e (intermediate) file size =    107432197225
2-e (intermediate) file name = ./vim.v2i
Cpu & wall time / sec 214.7 266.1
available GA memory 211394680 bytes
------------------------------------------------------------------------
createfile: failed ga_create size/nproc bytes 3079838825
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
129: task tce

even though clearly the input file was trying to allocate 4300 mb for GA.

Would you please let me know how to fix this?

Thank you,
Rui