Re: Regarding Files-in-Memory (FiM) feature in Molcas 8.0

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Posted by Valera on July 09, 2015 at 13:51:30:

In Reply to: Re: Regarding Files-in-Memory (FiM) feature in Molcas 8.0 posted by Mariusz Radon on July 09, 2015 at 13:26:23:

: After doing so, I can see messages like:

: >>>>>The file (....) is openned in RAM (*nux fd= 5 ). Activation code = 1. Total number of files in RAM is 1

Yes. it is activated.
Note, that if you have a fast drive, SDD or plenty of RAM - the speed up will be minimal. The feature has been developed for lustre-like system..

: Does it make a difference if I edit $MOLCAS/data/caspt2.prgm (or ~/.Molcas/caspt2.prgm - just for myself) instead of $MOLCAS/src/Driver/caspt2.prgm.src (BTW, there is not file named `caspt2.prgm.init' in my installation)? If so, can you explain the difference (or just point me to the appropriate page in the manual).

yes, .src (sorry for a typo!) is the source, which is compiled (to be precise - preprocessed) into .prgm during make. so, if you edit .prgm file it is OK, but it will be overwritten if you type make. and if you edit .src - you have to do make!

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if B is 1s22s22p1, what is Li?



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