Re: wildcards in EMIL


[ Molcas user's WWWBoard ]

Posted by Valera Veryazov on February 02, 2009 at 11:53:13:

In Reply to: Re: wildcards in EMIL posted by Coen de Graaf on February 02, 2009 at 11:34:53:

Coen,

: Well, I am not sure if it is a bug, but in my setup, no files are copied to my Home Directory ($CurrDir). I used to define the CurrDir in the jobfile (export CurrDir=/home/coen), but I noticed in molcas 7.2 that the parameter $CurrDir was no longer known in the input. I have to export it now explicitly also in the input with EMIL (> EXPORT CurrDir=/home/coen).

In molcas 7.2 $CurrDir is set to the current directory where molcas command is executed
(but of course, you can overwrite this by '>export CurrDir' command). By default (if you don't use molcasrc file) this directory is used to copy back files.
Try to use a simple test: add flag -ign to molcas command: molcas -ign input, so molcasrc will not be used - and you have to get all orbital files back to the directory where you executed this command.
If it works, check your molcasrc file - you might switch off the backup of files, or redirect them to another directory.
Else, I would like to know the version of the code and complete log files..

Valera.



Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


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