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

Zhu, Jianxin jxzhu at lanl.gov
Thu Jan 24 22:32:04 CET 2013


Dear Tone, 

Thanks for the revised xcAppInit.c file for Mac OSX.

Since I originally built xcrysden 1.5.53 from Fink, I simply don't know
how to put in this file there.
As such I just built a standalone program directly from the xcrysden
1.5.53 source package (with all libraries from Fink) on my Mac OSX machine.

With your new xcAppInit.c, the reported issue is gone. And when I execute
"xcrysden -s TiC.xcrysden" and the program takes the pictures back fully
and completely. 

On the other hand, as I reported before, although I don't have crash issue
with the program (same version of 1.5.53) on my linux cluster when I do
XCrysden "Save Current State and Structure", the execution of "xcrysden -s
TiC.xcrysden" does not give me back a complete picture. In a separate
message, I will attach one picture for your perusal.
I wish you have a solution to it.

BTW: I tried using this new file to replace the one on my linux clusters.
The compilation fails.

Thanks, 

Jianxin 



-----Original Message-----
From: Tone Kokalj <tone.kokalj at ijs.si>
Organization: J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
(tel: +386-1-477-3523 // fax:+386-1-477-3822)
Reply-To: <tone.kokalj at ijs.si>, XCrySDen mailing list
<xcrysden at democritos.it>
Date: Thu, 24 Jan 2013 19:32:40 +0100
To: <xcrysden at democritos.it>
Subject: Re: [xcrysden] XCrysden "Save Current State and Structure" on Mac
OSX

>On Fri, 2013-01-18 at 18:33 +0000, Zhu, Jianxin wrote:
>> Dear Tone, 
>> 
>> I did update the program to 1.5.53 on one of my MacOSX machines and the
>> problem remains.
>> Attached below is the output to screen after I click "Save Current State
>> and Structure".
>> The output is essentially the same as that from 1.5.24.
>
>Well, this may be due to a bug in the code. Please put the file
>xcAppInit.c (attached in a separate email) into the subdirectory C/ (for
>1.5.53 version only) and recompile with debugging option "-g" (edit
>CFLAGS in Make.sys). If it still crashes then run as "xcrysden -d" and
>upon crash write "where" in the gdb prompt (perhaps gdb will give some
>useful info).
>
>Regards,
>-- 
>Anton Kokalj
>J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
>(tel: +386-1-477-3523 // fax:+386-1-477-3822)
>
>Please, if possible, avoid sending me Word or PowerPoint attachments.
>See:  http://www.gnu.org/philosophy/no-word-attachments.html
>
>
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