FAQs
Why is my space group being reset to P1 after indexing with DASH 3.3.3?
Solution
DASH 3.3.3, available as a part of the 2015 CSD System, may occasionally experience a problem whereby the space group of the structure is reset to P1 after selecting to import a particular solution from indexing.
Unfortunately, a minor upgrade to our underlying Fortran compiler led to a change in behaviour of a relatively obscure built-in Fortran function (MAX1); indeed the new behaviour appears to be a compiler bug. A side effect of this change resulted in the space group reset problem occurring downstream. This issue has been resolved in the latest release of DASH – version 3.3.4.
Unfortunately, a minor upgrade to our underlying Fortran compiler led to a change in behaviour of a relatively obscure built-in Fortran function (MAX1); indeed the new behaviour appears to be a compiler bug. A side effect of this change resulted in the space group reset problem occurring downstream. This issue has been resolved in the latest release of DASH – version 3.3.4.
DASH version 3.3.4 is now included as one of the download options available with the 2015 CSD System. To request a download link please see the following page: http://www.ccdc.cam.ac.uk/csds_download