Re: Molcas open file error

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Posted by Steven Vancoillie on February 12, 2015 at 08:39:27:

In Reply to: Molcas open file error posted by Chong Peng on February 09, 2015 at 18:41:56:

: Dear friend,

It is probably better to address strangers differently ;)

: I am running Molcas for multiple times in one submission script. For example:
: for ...
: molcas input
: end

: The input file name is not changing. I only change the xyz file included in the input.

: Then I get this error:
: MOLCAS executing module SCF with 256 MB of memory
: Location: AixOpn
: file: SOXVEC
: Premature abort while opening file Too many open files

: If I run it individually, it will pass.

Your previous report was for Molcas 7.7, is this also for that version? You shouldn't use this any more.

Please try 8.0 and report a bug if the problem persists.


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if B is 1s22s22p1, what is Li?



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