the "x optic -p" script have the following behaviour:<br><div class="gmail_quote"><br>The TiC.symmat_1 and TiC.symmat_2 files was generated by the "optic optic_1.def" and "optic optic_2.def" scripts inside of the SCRATCH directory and "opticpara optic.def" script make reference to those files on the current work's directory <font color="#888888"></font><br>
</div> <br>______________________________________________________________________________________________________________<br><pre>The messages like:<br><br>rm: cannot remove `tic.mommat_1':<br>tail: cannot open `tic.mommat_2' for reading:<br>
<br>are no problem. case.mommat files do not exist anymore in the def <br>files, but the opticpara script still wants to concatenate them.<br><br>On the other hand, errors like<br><br>cat: TiC.symmat_1: No such file or directory<br>
<br>may indicate that something is wrong. These files are necessary.<br><br><br><br>Am 26.08.2011 10:36, schrieb Hiroki Takahashi:<br>><i> That similar error occurred in my system, too. In my case the error<br></i>><i> log indicated that there are no case.mommat_*** files. So, I<br>
</i>><i> created empty case.mommat_*** files. When a similar error occurs<br></i>><i> in x joint -p, create empty files(see joint.error) as well. But I<br></i>><i> wonder if I can get correct optical property by this procedure.<br>
</i>><i><br></i>><i> Best regards,<br></i>><i> Hiroki Takahashi<br></i>><i><br></i>><i> -----------------------<br></i>><i> Hiroki Takahashi<br></i>><i> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">hiroki_takahashi at mitsui-kinzoku.co.jp</a><br>
</i>><i> Mitsui Mining& Smelting Co., Ltd.<br></i>><i> -----------------------<br></i>><i><br></i>><i><br></i>><i> On Thu, 18 Aug 2011 12:31:56 -0600<br></i>><i> Rodrigo Dominguez Garcia<<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">rodrigo.dominguez at cimav.edu.mx</a>> wrote:<br>
</i>><i><br></i>>><i> I am running wien version WIEN2k_11.1 (Release 14/6/2011) on a machine with<br></i>>><i> operating system Centos 5.5, fortran compiler ifort 11.1<br></i>>><i><br></i>>><i> The SCF cycle ran *correctly*, but when i try to get the optic properties<br>
</i>>><i> using the x optic -p command, throws the following *errors*.<br></i>>><i><br></i>>><i> running OPTIC in parallel mode<br></i>>><i> [1] 3449<br></i>>><i> OPTIC END<br></i>>><i> [1] + Done ( cd $PWD; $t $exe<br>
</i>>><i> ${def}_${loop}.def; rm -f .lock_$lockfile[$p] )>> ...<br></i>>><i> [1] 3455<br></i>>><i> OPTIC END<br></i>>><i> [1] + Done ( cd $PWD; $t $exe<br></i>>><i> ${def}_${loop}.def; rm -f .lock_$lockfile[$p] )>> ...<br>
</i>>><i> Summary of opticpara:<br></i>>><i> localhost user=0 wallclock=20358<br></i>>><i> cat: TiC.symmat_1: No such file or directory<br></i>>><i> cat: TiC.mommat_1: No such file or directory<br>
</i>>><i> cat: TiC.mat_diag_1: No such file or directory<br></i>>><i> cat: TiC.mme_1: No such file or directory<br></i>>><i> rm: cannot remove `TiC.symmat_1': No such file or directory<br></i>>><i> rm: cannot remove `TiC.mommat_1': No such file or directory<br>
</i>>><i> rm: cannot remove `TiC.mat_diag_1': No such file or directory<br></i>>><i> rm: cannot remove `TiC.mme_1': No such file or directory<br></i>>><i> tail: cannot open `TiC.symmat_2' for reading: No such file or directory<br>
</i>>><i> tail: cannot open `TiC.mommat_2' for reading: No such file or directory<br></i>>><i> tail: cannot open `TiC.mat_diag_2' for reading: No such file or directory<br></i>>><i> tail: cannot open `TiC.mme_2' for reading: No such file or directory<br>
</i>>><i> rm: cannot remove `TiC.symmat_2': No such file or directory<br></i>>><i> rm: cannot remove `TiC.mommat_2': No such file or directory<br></i>>><i> rm: cannot remove `TiC.mat_diag_2': No such file or directory<br>
</i>>><i> rm: cannot remove `TiC.mme_2': No such file or directory<br></i>>><i> 0.308u 0.175s 0:02.29 20.5% 0+0k 0+0io 16pf+0w<br></i>>><i><br></i>>><i><br></i>>><i><br></i>>><i> The compilation options are shown below<br>
</i>>><i><br></i>>><i> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback<br></i>>><i> -I/opt/intel/mkl/<a href="http://10.2.6.038/include">10.2.6.038/include</a><br></i>>><i> current:FPOPT:$(FOPT)<br>
</i>>><i> current:LDFLAGS:$(FOPT) -L/opt/intel/mkl/<a href="http://10.2.6.038/lib/em64t">10.2.6.038/lib/em64t</a><br></i>>><i> current:DPARALLEL:'-DParallel'<br></i>>><i> current:R_LIBS:-lmkl_lapack -lmkl_sequential -lmkl_core -lmkl_intel_lp64<br>
</i>>><i> -lguide<br></i>>><i> current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64<br></i>>><i> -L/usr/local/FFTW/lib -lfftw_mpi -lfftw $(R_LIBS)<br></i>>><i> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br>
</i>>><i><br></i>>><i><br></i>>><i> --<br></i>>><i> M.I. Rodrigo Dominguez Garcia<br></i>>><i> Tecnologias de Informacion y Comunicacion<br></i>>><i> C I M A V<br></i>>><i> Tel. (614) 439-1154<br>
</i>><i><br></i>><i><br></i>><i><br></i>><i><br></i>><i> _______________________________________________<br></i>><i> Wien mailing list<br></i>><i> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">Wien at zeus.theochem.tuwien.ac.at</a><br>
</i>><i> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></i><br>-- <br>Peter Blaha<br>Inst.Materials Chemistry<br>TU Vienna<br>Getreidemarkt 9<br>
A-1060 Vienna<br>Austria<br>+43-1-5880115671<br></pre><br><br><br>M.I. Rodrigo Domínguez García<br>Tecnologías de Información y Comunicación<br>C I M A V <br>Tel. (614) 439-1154 <br>