Re: Seward I/O

[ Molcas user's WWWBoard ]

Posted by dennis mueller on October 17, 2013 at 13:23:37:

In Reply to: Seward I/O posted by dennis mueller on October 16, 2013 at 14:23:04:

maybe a shorter clarification of my question:
if you run parallel molcas with X CPUS u get X-1 subfolders in your $WorkDir enumerated by tmp_1, tmp_2 ... tmp_X-1. In $WorkDir as well as in every tmp_Y subfolder are all the packed 2 electron integral files called $project.OrdInt, $project.OrdInt1, $project.OrdInt2, ... . is this redundancy necessary or can one avoid this by linking the integral files in the tmp_Y subdirectories to the ones in the top level $WorkDir ?

Follow Ups:

Post a Followup



if B is 1s22s22p1, what is Li?



[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]