Re: possible to use memory command line inside the input file ??


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Posted by Steven Vancoillie on April 23, 2015 at 09:38:24:

In Reply to: possible to use memory command line inside the input file ?? posted by Saju Joseph on April 16, 2015 at 14:17:28:

: Is it possible to specify memory command inside molcas input ???, like gaussian does, for example (%mem=32GB).

The MOLCAS_MEM variable controls the amount of memory you give to Molcas.
http://molcas.org/documentation/manual/node58.html#SECTION06125000000000000000

In order to set any environment variable inside a Molcas input, use

>> EXPORT VAR=

where VAR is the variable name and the value you wish to assign.

http://molcas.org/documentation/manual/node59.html#SECTION06132000000000000000




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