[SIESTA-L] Strange mpi problem

2008-08-20 Thread Lakee Johnson
Hello, Dear all,

These days, I was trying to run a calculation with the parallel version of
siesta on a PC cluster. It was compiled by mpich2 and pgi compiler. What
surprises me is that, sometimes, it runs normally, and sometimes, the task
enters a sleeping status right after I submit the job by mpiexec -n 8
siesta input output.  In the output of the command top, I can see S
as the status on the line of my job. At this time ,it never goes on.  This
happens very frequently, even for the same input file.  I do not know why.
Could you tell me how to avoid entering a sleeping state right after the
submission of the job, please?

Thank you very much!!

Sincerely,
Lakee


Re: [SIESTA-L] Strange mpi problem

2008-08-20 Thread N H
I've got the same problem when I was trying to compute optical properties
even in the serial version ... simply dont know what happens, but the
calculation just sleep ...

NH

On Wed, Aug 20, 2008 at 4:06 PM, Lakee Johnson [EMAIL PROTECTED]wrote:

 Hello, Dear all,

 These days, I was trying to run a calculation with the parallel version of
 siesta on a PC cluster. It was compiled by mpich2 and pgi compiler. What
 surprises me is that, sometimes, it runs normally, and sometimes, the task
 enters a sleeping status right after I submit the job by mpiexec -n 8
 siesta input output.  In the output of the command top, I can see S
 as the status on the line of my job. At this time ,it never goes on.  This
 happens very frequently, even for the same input file.  I do not know why.
 Could you tell me how to avoid entering a sleeping state right after the
 submission of the job, please?

 Thank you very much!!

 Sincerely,
 Lakee



[SIESTA-L] Strange mpi problem

2008-08-20 Thread karim rezouali
Dear Lakee,

Try with one of the two following commands !! 
 
 mpiexec -np 8 siesta input output

or 

 mpirun -np 8 siesta input output   



 Hello, Dear all,
 
 These days, I was trying to run a calculation with the
 parallel version of
 siesta on a PC cluster. It was compiled by mpich2 and pgi
 compiler. What
 surprises me is that, sometimes, it runs normally, and
 sometimes, the task
 enters a sleeping status right after I submit the job by
 mpiexec -n 8
 siesta input output.  In the output of the
 command top, I can see S
 as the status on the line of my job. At this time ,it never
 goes on.  This
 happens very frequently, even for the same input file.  I
 do not know why.
 Could you tell me how to avoid entering a sleeping state
 right after the
 submission of the job, please?
 
 Thank you very much!!
 
 Sincerely,
 Lakee


  
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[SIESTA-L] Re : Strange mpi problem

2008-08-20 Thread karim rezouali
 Dear Lakee,
 
 Try with one of the two following commands !! 
  
  mpiexec -np 8 siesta input output
 
 or 
 
  mpirun -np 8 siesta input output   
 
 
 Karim

 


  
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Envoyez avec Yahoo! Mail. Une boite mail plus intelligente http://mail.yahoo.fr


Re: [SIESTA-L] Strange mpi problem

2008-08-20 Thread Thomas Sadowski
Lakee,


I cannt speak about the serial sleep, but I have encountered similar problems 
trying to run parallel SIESTA using MPICH2 as my MPI interface. I would 
recommend considering one of the other MPI programs and see if this doesn't 
solve the problem. Myself I use both OpenMPI and MVAPICH. Depending on how 
aggressively the libraries are compiled, the latter tends to run a little 
faster than the former, but it is not really that significant of a difference. 
I would be interested to hear what the other users have to say concerning this 
issue.


Tom Sadowski
University of Connecticut



Date: Wed, 20 Aug 2008 22:06:20 +0800
From: [EMAIL PROTECTED]
Subject: [SIESTA-L] Strange mpi problem
To: SIESTA-L@listserv.uam.es

Hello, Dear all,

These days, I was trying to run a calculation with the parallel version of 
siesta on a PC cluster. It was compiled by mpich2 and pgi compiler. What 
surprises me is that, sometimes, it runs normally, and sometimes, the task 
enters a sleeping status right after I submit the job by mpiexec -n 8 siesta 
input output.  In the output of the command top, I can see S as the 
status on the line of my job. At this time ,it never goes on.  This happens 
very frequently, even for the same input file.  I do not know why. Could you 
tell me how to avoid entering a sleeping state right after the submission of 
the job, please?


Thank you very much!!

Sincerely,
Lakee


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[SIESTA-L] Error in siesta compilation

2008-08-20 Thread Marcos Verissimo Alves
Hi all,

I am trying to compile siesta (actually the compilation goes fine) in an
8-processor intel machine (Intel(R) Xeon(R) CPU X5355  @ 2.66GHz). The
compiler is ifort version 10.1.017 and libraries are mkl 10.0.3.020 plus
the usual self-compiled blacs and scalapack. However, I get an error when
I try to run siesta in parallel, no matter how many nodes (even at 1
node!):

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image  PCRoutineLineSource
siesta 010311C7  Unknown   Unknown  Unknown
libpthread.so.02AD287BB8FB0  Unknown   Unknown  Unknown
siesta 010311A3  Unknown   Unknown  Unknown
libpthread.so.02AD287BB8FB0  Unknown   Unknown  Unknown

Has anyone had this problem with the 10.0.3 version of the mkl? I ask that
because I have parallel siesta running smoothly in dual-core laptops and
desktops, and haven't had this problem. I see that with the newest version
of the intel mkl, as usual the names of the libraries one has to add
changed, and now I have to add -lmkl_core and -lpthread if I want the
compilation to end with no errors. Has anyone had this problem, and knows
how to solve it?

Cheers,

Marcos

-- 
Dr. Marcos Verissimo Alves
Post-Doctoral Fellow
Unité de Physico-Chimie et de Physique des Matériaux (PCPM)
Université Catholique de Louvain
1 Place Croix du Sud, B-1348
Louvain-la-Neuve
Belgique

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