[xcrysden] XCrysden "Save Current State and Structure" on Mac OSX

[Zhu, Jianxin]

Hi Tone and Xcrysden users,

I spent long time on putting in customized labels etc on a structure (imported from wien2k), and then clicked "Save Current State and Structure" trying to save what I have made.
Unfortunately, the Xcrysden program simply crashed.
The problem happens to the program installed on all Mac OSX machines (OS 10.6.8 and 10.7.2) I can have access. The xcrysden version is  1.5.24.
The error is ---
…
sInfo(dim) = 3; periodic(dim) = 3
saving colSh ...
saving datagrid ...
saving rotations/translations ...
/Users/jxzhu/XCrySDen/xcrysden: line 227: 66513 Abort trap              ${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH "$@" > /dev/null

I have also given a try with a test case.struct on linux clusters installed with xcrysden 1.5.21, the above problem does not occur. But when I reopened it with the command "xcrysden –s case.xcrysden", the displayed picture has bonds missing.

Is it possible that this problem is related to the fact the structure is imported from wien2k structure file?

On Mac, I am now trying to update the program to 1.5.53 but not sure whether it will make any difference.

I appreciate if you have any suggestions.

Thanks,

Jianxin


-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20130118/58d7c106/attachment.htm