[xcrysden] Error in xcInit.tcl

[Tone Kokalj]

On Thu, 2008-12-11 at 00:01 +0800, Yan Ren wrote:
> Dear all,
> 
> I downloaded a shared version of xcrysden (xc-1.5.17-linux_x86-shared.tar.gz) 
> from the official website. After untargz and install, I met this error when 
> executing xcrysden :
> 
> ----------------
> Running on platform: unix
> Executing: /home/pem/XCrySDen-1.5.17-bin-shared/bin/ftnunit
> ./xcrysden: line 211: 22307 Aborted                 
> ${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- 
> $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH $ARGS > /dev/null 

The problem here is that xcrysden "crashes" (more precisely aborts). The
line 211 is the actuall "call" to launch xcrysden.

> ---------------
> 
> I looked up line 211 of xcrysden, and found it calls 
> $XCRYSDEN_TOPDIR/Tcl/xcInit.tcl. So I tested with this command:
> 
> ./${XCRYSDEN_TOPDIR}/bin/xcrys  ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl

Don't launch xcrysden like that. It will defenitely fail. The purpose of
"xcrysden" wrapper is to setup proper environment.

Your above printout may indicate that it is the ftnunit program that
gives the problem. Try to execute:

/home/pem/XCrySDen-1.5.17-bin-shared/bin/ftnunit

Does it work (it shoud create file fort.99)?

If it works, the reason is elsewhere. Run xcrysden as:

xcrysden -T >& log

and send me the log file.

Regards, Tone
-- 
Tone Kokalj <tone.kokalj at ijs.si>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel:
+386-1-477-3523 // fax:+386-1-477-3822)