Re: Seward I/O

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Posted by dennis mueller on October 17, 2013 at 14:41:33:

In Reply to: Re: Seward I/O posted by Valera on October 17, 2013 at 13:34:53:

: Dennis,

: : i have a second question which concerns the molcasmem variable. i don't know if this is intended or not but if i set CPUS=4 for example and MOLCASMEM=8000 then 32 GB of RAM are allocated. so molcasmem defines the max amount of mem used by one instance of the seward module? is this correct and intended?

: Correct, MOLCASMEM corresponds to the memory which each instance of a code can use.

: / Valera

thank you for your response and help. do you have any comment on my other problem regarding the redundancy of OrdInt files in the workdir subfolders when using multiple cpus? or do you need any further information on this topic or is there no trivial answer?

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if B is 1s22s22p1, what is Li?



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