Re: Can molcas7.4 parallel jobs be launched with mpirun?


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Posted by Valera Veryazov on September 28, 2009 at 11:05:51:

In Reply to: Can molcas7.4 parallel jobs be launched with mpirun? posted by Evgeniy on September 08, 2009 at 11:43:09:

:as there were problems with exporting molcas environment.

Well, I would rather say that molcas 7.2 required a proper configured mpirun. :)

In Molcas 7.4 this part has been changed. There is no requirement that mpi should transfer environment into a child process.




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if B is 1s22s22p1, what is Li?

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