Dear Salvador. Thanks for the reply. My problem is the "<". Now I can see the output files in the folder.
Regards Diego 2010/10/7 Barraza-lopez, Salvador <[email protected]> > 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" <[email protected]> > To: [email protected] > 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 <[email protected]> > >> 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 < >> [email protected]> 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 > -- Diego Cortés A. Laboratorio de Química Teórica Facultad de Química y Biología USACH 7181138 08-2034358
