Memory usage from EOM-CCSD log


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OK, all clear. Just had to jack ARMCI_DEFAULT_SHMMAX up, and set memory per-rank.

FYI, release version 6.8 left behind a 4 GB shared memory segment after the first part of a compound job that knackered the second part of the job. I could see and clear it by splitting the job into two pieces. Since ARMCI_DEFAULT_SHMMAX was set to 4096, I'm assuming it's probably GA-related. Still, something to know I suppose.