suggestion for future release: setting up permanent dir via environmental variable

Clicked A Few Times

11:28:25 PM PDT - Tue, Mar 22nd 2011
I have a suggestion to the code developers regarding of setting up the permanent_dir file directory. Currently this is possible via input directive permanent_dir only. However, in some cases, such as setting up multiple series of nwchem calculations, it would be much easier for user to define permanent_dir in a shell script via an environment shell variable, as it is possible now for scratch_dir, e.g., setenv SCRATCH_DIR value setenv PERMANENT_DIR value I believe that the option to read permanent_dir value as the environmental variable $PERMANENT_DIR is not hard to implement, since this was done already for scratch_dir via $SCRATCH_DIR. Regards, Ivan Rostov ANU Supercomputer Facility Leonard Huxley Bldg #56 The Australian National University Canberra ACT 0200 Australia

Clicked A Few Times

9:29:40 PM PDT - Wed, Mar 23rd 2011
found how to modify source to enable reading of $PERMANENT_DIR
Apparently I found how to do this. Just a minor modification of Fortran subroutine util_directory_name in the source file ./src/util/util_file_name.F is required. If somebody else wishes to add option to read permanent_dir from the machine environment ask me, if need assistance in modifying ./src/util/util_file_name.F. Ivan

Forum Vet

12:26:23 PM PDT - Fri, Apr 1st 2011
Added it to the development version. Quote:Rostov Mar 24th 4:29 am Apparently I found how to do this. Just a minor modification of Fortran subroutine util_directory_name in the source file ./src/util/util_file_name.F is required. If somebody else wishes to add option to read permanent_dir from the machine environment ask me, if need assistance in modifying ./src/util/util_file_name.F. Ivan

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