ARMCI DASSERT fail for CCSD property job

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  • Karol Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi Chris,
it is always safer to use the explicit memory allocation.
Assuming you gave 2GB available per core please use the following memory specification:

memory stack 1000 mb heap 50 mb global 800 mb noverify

I also presume that your molecule is of closed-shell type. In such a case please use the more efficient form of the 4-index transformation (which is valid only for the RHF/ROHF references).
In order to enable it please add the following lines to your tce input group:

2eorb
2emet 13
attilesize 40

make sure that tilesize is smaller than the attilesize. By enabling this 4-index transfromation you will
save a lot of memory.

Best,
Karol


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