moints semi: failed to open half int file

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5:06:23 AM PDT - Tue, Jul 17th 2012

Yudong,

You may want to use the "memory" keyword and specify more memory, more then what gets set by default (increase stack). On the Cray the MP2 tries to keep integrals in memory (per Huub's comments), and it will need more than the small default memory for that.

Bert

Quote:Ysun Jul 12th 12:42 pm

Hi Huub,

I have tried NWChem 6.1.1 and still got the same error:

 moints_semi: failed to open half int file:: 0

Thanks,

Yudong

I have increased the memory to 2 gb. The same error still occurs with NWChem 6.1 and 6.1.1.

          Memory information

          ------------------

   heap     =   65536001 doubles =    500.0 Mbytes

   stack    =   65536001 doubles =    500.0 Mbytes

   global   =  131072000 doubles =   1000.0 Mbytes (distinct from heap & stack)

   total    =  262144002 doubles =   2000.0 Mbytes

   verify   = yes

   hardfail = no

... ...

moints_semi: failed to open half int file        0

moints_semi: failed to open half int file        0

moints_semi: failed to open half int file        0

moints_semi: failed to open half int file        0

... more

I wonder if my input can work on your systems.

Thanks,

Yudong