EOM-CCSDT right-hand side iterations ga create failure


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Dear Bert/all

Quote:Bert Aug 15th 10:16 am

Tom,

These coupled cluster response calculations are large, and challenging for only 4 processors. What the error message tells you is that the code ran out of memory. There are two suggestions I can give:

1. Play with the memory configuration. 10000 mb puts 2500mb in stack, 2500mb in heap and 5000mb in global. Options would be:

    etc.

2. To reduce stack size requirements, you can use the "tilesize" keyword in the tce block

   tilesize 10    (or smaller)


thanks a lot for your advice. However, I've tried to play with memory as well as tilesize values and hadn't succeeded to compute the above computation. I've tested on a machine having 80 CPUs and 512GB of memory -- no matter which values I do set (I've tried around 20 combinations), it fails in any of the iterations (always different for different values).

Is there somebody, who would be so kind and will try to compute the above computation, letting me know, whether it succeeded (and which values had he/she use)?

I'll appreciate it a lot...

Thanks in advance.
Tom.