+----------------------------------------------------------------+ |****************************************************************| |* *| |* XCrySDen - (X-Window) CRYstalline Structures and DENsities *| |* = === = === *| |*--------------------------------------------------------------*| |* *| |* Anton Kokalj (Tone.Kokalj@ijs.si) *| |* Jozef Stefan Institute, Ljubljana, Slovenia *| |* *| |* Copyright (c) 1996--2009 by Anton Kokalj *| |* *| |****************************************************************| +----------------------------------------------------------------+ Version: 1.5.25 Please report bugs to: Tone.Kokalj@ijs.si TERMS OF USE: ------------- XCRYSDEN is released under the GNU General Public License. Whenever graphics generated by XCRYSDEN are used in scientific publications, it shall be greatly appreciated to include an explicit reference. The preferred form is the following: [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003. Code available from http://www.xcrysden.org/. TCL_LIBRARY=/usr/common/usg/xcrysden/1.5.25/external/lib/tcl8.5 XCRYSDEN_TOPDIR=/usr/common/usg/xcrysden/1.5.25 XCRYSDEN_SCRATCH=/global/scratch/sd/yuanyuel/xcrys_tmp Running on platform : unix Operating system : Linux Package ImageMagick's convert: /usr/bin/convert Package ImageMagick's import: /usr/bin/import Package Xwd: /usr/bin/xwd Executing: /usr/common/usg/xcrysden/1.5.25/bin/ftnunit reading PRIMCOORD Number of Atoms: 0 Number of Frames: 0 Estimated number of bonds = 0 BEGIN_BLOCK_BANDGRID_3D was read Querying for fermi energy ... FERMI ENERGY set to 14.9511 Reading band: 1 Min-value: 10.330500 Max-value: 15.310700 Reading band: 2 Min-value: 11.185800 Max-value: 16.658300 Reading band: 3 Min-value: 12.263500 Max-value: 16.910700 Reading band: 4 Min-value: 12.590900 Max-value: 17.447599 Reading band: 5 Min-value: 13.576800 Max-value: 17.801399 TEXT-WIDGET: .a0.f1.t NBANDS = 5 FS:---------------- FS: N == 5, 15, 1 FS: frmin == -0.500, -0.500, -0.500 FS: Imax == 5, 15, 1 FS: frImin == -1.000000, -1.000000, -1.000000 FS: frImax == 1.000000, 1.000000, 1.000000 FS: mols(i,j,k) == 11 31 3 FS: mols->lowcoor == -1.000000 -2.891304 -1.463000 FS: interp_n[] == 1, 1, 1 gradient_SurfNmlNew used, normals address=35323840 Number of IN triangles: 160 Number of IN vertices: 294 *** glibc detected *** /usr/common/usg/xcrysden/1.5.25/bin/xcrys: free(): invalid next size (normal): 0x00000000021950f0 *** ======= Backtrace: ========= /lib64/libc.so.6(+0x75018)[0x7ffff5f09018] /lib64/libc.so.6(cfree+0x6c)[0x7ffff5f0dfec] /usr/common/usg/xcrysden/1.5.25/bin/xcrys[0x46b65c] /usr/common/usg/xcrysden/1.5.25/bin/xcrys[0x482c1a] /usr/common/usg/xcrysden/1.5.25/bin/xcrys[0x4886f7] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclInvokeStringCommand+0x7f)[0x7ffff72599af] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(Tcl_EvalObjv+0x48)[0x7ffff725e448] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclEvalObjEx+0x368)[0x7ffff7260458] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0xbc13f)[0x7ffff72e613f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(Tcl_EvalObjv+0x48)[0x7ffff725e448] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclEvalObjEx+0x368)[0x7ffff7260458] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x3cbd1)[0x7ffff7266bd1] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(Tcl_EvalObjv+0x48)[0x7ffff725e448] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclEvalObjEx+0x368)[0x7ffff7260458] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0xbc13f)[0x7ffff72e613f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x341a1)[0x7ffff725e1a1] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(Tcl_EvalObjv+0x48)[0x7ffff725e448] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclEvalObjEx+0x368)[0x7ffff7260458] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0xbc13f)[0x7ffff72e613f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x341a1)[0x7ffff725e1a1] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(Tcl_EvalObjv+0x48)[0x7ffff725e448] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclEvalObjEx+0x368)[0x7ffff7260458] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0xbc13f)[0x7ffff72e613f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x7a15f)[0x7ffff72a415f] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(TclObjInterpProcCore+0x104)[0x7ffff72e66e4] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x33ea8)[0x7ffff725dea8] /usr/common/usg/xcrysden/1.5.25/external/lib/libtcl8.5.so(+0x341a1)[0x7ffff725e1a1] ======= Memory map: ======== 00400000-004d1000 r-xp 00000000 00:1c 17789001 /global/common/hopper2/usg/xcrysden/1.5.25/bin/xcrys 006d0000-006d5000 rw-p 000d0000 00:1c 17789001 /global/common/hopper2/usg/xcrysden/1.5.25/bin/xcrys 006d5000-021e7000 rw-p 00000000 00:00 0 [heap] 7fffec000000-7fffec021000 rw-p 00000000 00:00 0 7fffec021000-7ffff0000000 ---p 00000000 00:00 0 7ffff2703000-7ffff2caa000 rw-p 00000000 00:00 0 7ffff306d000-7ffff3c6d000 rw-p 00000000 00:00 0 7ffff3c6d000-7ffff3c72000 r-xp 00000000 08:05 8223005 /usr/lib64/libXfixes.so.3.1.0 7ffff3c72000-7ffff3e71000 ---p 00005000 08:05 8223005 /usr/lib64/libXfixes.so.3.1.0 7ffff3e71000-7ffff3e72000 r--p 00004000 08:05 8223005 /usr/lib64/libXfixes.so.3.1.0 7ffff3e72000-7ffff3e73000 rw-p 00005000 08:05 8223005 /usr/lib64/libXfixes.so.3.1.0 7ffff3e73000-7ffff3e7c000 r-xp 00000000 08:05 8223046 /usr/lib64//usr/common/usg/xcrysden/1.5.25/xcrysden: line 227: 28002 Aborted ${XCRYSDEN_TOPDIR}/bin/xcrys ${XCRYSDEN_TOPDIR}/Tcl/xcInit.tcl $USE -- $XCRYSDEN_TOPDIR $XCRYSDEN_SCRATCH "$@" > /dev/null