Re: Molcas open file error

Posted by Chong Peng on February 12, 2015 at 22:34:21:

In Reply to: Re: Molcas open file error posted by Steven Vancoillie on February 12, 2015 at 08:39:27:

: : 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.

: grtz
: Steven

Thanks. I am working on getting MOLCAS 8.0.

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Comments:
: : : 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. : : grtz : : Steven : Thanks. I am working on getting MOLCAS 8.0.

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