[CPMD-list] The parallel CPMD run

[Weiqiao Deng]

Many thanks for your hints. Thing works out after discussing with the
system administer with checking those hints.

Weiqiao  
On Fri, 26 Mar 2004, Axel Kohlmeyer wrote:

> 
> On Thu, 25 Mar 2004, Weiqiao Deng wrote:
> 
> WD> Dear all,
> WD> 
> WD> First thanks go for the previous information on this board so that I can
> WD> compile the parallel execute CPMD smoothly. 
> WD> 
> WD> Right now, I have some questions about running errors.
> WD> 
> 
> ok, first some comments on your submit script, that have
> nothing to do with your problem, but should be considered anyway.
> 
> WD> Here is my script file:
> WD> 
> WD> #PBS -l nodes=2 
> WD> #PBS -q workq at borg 
> WD> #PBS -N cpmd_wat32 
> WD> #!/bin/bash 
> 
> for this to work properly you have to put the
> 
> #!/bin/bash 
> 
> line first and put a single pound sign '#' there
> instead (as this stops the PBS from searching for
> further directives in the rest of the script).
> 
> 
> WD> cd /ul/weiqiao/CPMD-3.7.2/cpmd-test/std/wat32
> 
> WD> 
> WD> /ul/weiqiao/mpich-1.2.5.2/bin/mpirun -np 2 
> WD> /ul/weiqiao/CPMD-3.7.2/EXEC/cpmd.mpi inp-1 > wat32-opt.out (1 line)
> WD> 
> WD> It died only in 1 second. Here is output errors: 
> WD> borg{weiqiao}495 % more wat32-opt.out 
> WD> p0_14298:  p4_error: Child process exited while making
> WD> connection to remote process on borg: 0 
> 
> it seems as you cannot connect to the individual nodes
> without a password, which is a prerequisite for starting
> a parallel job, or the individual processes cannot initiate
> a tcip/ip connection.
> 
> WD> 
> WD> Is there anything I can do? Thanks a lot.
> 
> 
> can you run parallel jobs interactively?
> is the mpich package, that you have installed, aware of
> the PBS node assignment? do you have a node named 'borg'?
> does this machine have a firewall installed? most linux 
> distributions do this by default nowadays, but it is not
> very useful for clusters.
> 
> axel kohlmeyer.
> 
> WD> 
> WD> For compiling, I downloaded the mpich-1.2.5.2/ at my directory and compile
> WD> it by using pgf90 that is same compiler I used on cpmd compiling. the
> WD> option I used is PC-PGI-MPI with correct directories. The compiling
> WD> processing is smooth.
> 
> 
> WD> I will appreciate it if you can give any clues. Thanks a lot.
> WD> 
> WD> Weiqiao
> WD> 
> WD> 
> WD> _______________________________________________
> WD> CPMD-list mailing list
> WD> CPMD-list at cpmd.org
> WD> http://www.cpmd.org/mailman/listinfo/cpmd-list
> WD> 
> WD> 
> 
>