[CPMD-list] The parallel CPMD run

Weiqiao Deng weiqiao at wag.caltech.edu
Fri Mar 26 01:40:04 CET 2004


Dear all,

First thanks go for the previous information on this board so that I can
compile the parallel execute CPMD smoothly. 

Right now, I have some questions about running errors.

Here is my script file:

#PBS -l nodes=2 
#PBS -q workq at borg 
#PBS -N cpmd_wat32 
#!/bin/bash 
cd /ul/weiqiao/CPMD-3.7.2/cpmd-test/std/wat32

/ul/weiqiao/mpich-1.2.5.2/bin/mpirun -np 2 
/ul/weiqiao/CPMD-3.7.2/EXEC/cpmd.mpi inp-1 > wat32-opt.out (1 line)

It died only in 1 second. Here is output errors: 
borg{weiqiao}495 % more wat32-opt.out 
p0_14298:  p4_error: Child process exited while making
connection to remote process on borg: 0 

Is there anything I can do? Thanks a lot.

For compiling, I downloaded the mpich-1.2.5.2/ at my directory and compile
it by using pgf90 that is same compiler I used on cpmd compiling. the
option I used is PC-PGI-MPI with correct directories. The compiling
processing is smooth.

I will appreciate it if you can give any clues. Thanks a lot.

Weiqiao





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