Dear Shamik, I wonder if your problem comes not from using wien2k but from using the batch system when submitting wien2k jobs. In our supercomputing center, when submitting a job, the job is appointed its own unique variable SCRATCHDIR. Further, on our center you have to specify module add wien2k if you want to use wien2k. Then, the variable WIENROOT and SCRATCH is set automatically by a script written by our system administrators. I remember when not specifying directly export SCRATCH=$PWD in my case directory in the batch script job, the *.vector* files have been stored in the $SCRATCHDIR directory. Taking into account what prof. Blaha said: Wien2k stores files ONLY in your "case" directories. this should be not the default Wien2k behavior. Best regards Tomas
In that case, after deleting the case directory, the space in hd of Linux should be recovered. But the space is decreasing every time, I ran some calculations and after copying delete the whole directory. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html