Hi Diego, The error comes from the undirected input/output; this is why you get the following line: reinit: Reading from standard input
In other words, the program is *not* reading your input file and attempts to read an empty INPUT_DEBUG file. Try running your job the following way: mpirun -np 6 siesta < ch3.fdf > ch3.out If for some reason, the "<" piping is not allowed in your system (can happen), try the following: cp ch3.fdf INPUT_DEBUG mpirun -np 6 siesta In this case, since there is no input file, SIESTA looks by default for a file called INPUT_DEBUG. I'll pick your input file and will run. The output will appear on the standard output (screen) as the program goes. Cheers, -Salvador. ----- Original Message ----- From: "Diego Cortes Arriagada" <diego.cort...@usach.cl> To: siesta-l@uam.es Sent: Thursday, October 7, 2010 5:01:52 PM GMT -05:00 US/Canada Eastern Subject: Re: [SIESTA-L] Temporary Files Hola...Gracias por la respuesta. Exactamente lo que esperaba era que en la carpeta que ejecuto el calculo me eparescan los archivos de los cuales me habla, sin embargo estos no aparecen. He estado ejecutando una prueba ahora con la molecula CH3 y pasan horas sin que los archivos aparescan en la carpeta. Estoy ejecutando en paralelo con 6 procesadores. Al iniciar el calculo la ventana de la terminal queda congelada en este estado aunque al observar el rendimiento de los procesadores me aparece que efectivamente el preoceso siesta esta ejecutandose, aunque en la carpeta de calculo no aparece ningun archivo de salida asociado. Este es el mensaje que me aparece al iniciar el calculo. gcarden...@cluster6:~/CH3$ mpirun -np 6 siesta ch3.fdf ch3.out -------------------------------------------------------------------------- A deprecated MCA parameter value was specified in the environment or on the command line. Deprecated MCA parameters should be avoided; they may disappear in future releases. Deprecated parameter: pls_rsh_agent -------------------------------------------------------------------------- Siesta Version: siesta-2.0.2 Architecture : x64-pc-linux-openmpi-pgi Compiler flags: /opt/mpi/bin/mpif90 -g -fast -tp p7-64 PARALLEL version NetCDF-capable * Running on 6 nodes in parallel >> Start of run: 22-MAR-2008 15:50:56 *********************** * WELCOME TO SIESTA * *********************** reinit: Reading from standard input ************************** Dump of input data file **************************** Desde ya muchas gracias por su respuesta y ojala pudiera ayudarme con esta duda sobre el programa, y revelar si acaso existe algun problema con la instalacion. Diego 2010/10/7 Marcos Veríssimo Alves < marcos.verissimo.al...@gmail.com > Diego, As far as I know Siesta has no temporary files, at least no relevant ones. Most of the output you need to check the current status of your calculation will be in the redirection of the standard output you do to disk as you run siesta: siesta < filename.fdf > filename.out The output file filename.out will contain most of the information you need for following the development of your calculation. Marcos On Thu, Oct 7, 2010 at 6:33 PM, Diego Cortes Arriagada < diego.cort...@usach.cl > wrote: Hello I am a new user of siesta. I would like to know if siesta saves temporary files in any folder during the development of a calculation, in order to checking the status of calculation Thanks In advance . -- Diego Cortés A. Laboratorio de Química Teórica Facultad de Química y Biología USACH 7181138 08-2034358 -- Diego Cortés A. Laboratorio de Química Teórica Facultad de Química y Biología USACH 7181138 08-2034358 -- Salvador Barraza-Lopez Postdoctoral Fellow School of Physics The Georgia Institute of Technology Office N205 837 State Street Atlanta, Georgia 30332-0430 U.S.A Tel: (404) 894-0892 Fax: (404) 894-9958
