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

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Posted by Mariusz Radon on July 09, 2015 at 13:26:23:

In Reply to: Re: Regarding Files-in-Memory (FiM) feature in Molcas 8.0 posted by Valera Veryazov on July 09, 2015 at 12:34:38:

Dear Valera,
thank you for your prompt response!

: Note, that FiM is operation only if DGA, not GA is used!

I do not think I am using Global Arrays in my serial build. From Symbols:
# Global arrays.

: Right. I think that the only way to check that it actually activated is to define _DEBUG_ in io_utils/fim.c

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


>>>>>Writing 434008 bytes tagged as 440968 into file 5 <>

and so on. I assume this means that FiM is working OK, isn't it?

: If some files (especially heavily used) are not listed in prgm file - it is a bug, of course. But you can fix this bug just adding them into Driver/caspt2.prgm.init !
: If a file is not declared in prgm, it gets default attributes: located in WorkDir, named as it is, rw.

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). Thank you in advance!

Best regards,
Mariusz Radon

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