[CPMD-list] About CPMD parallel

Donghee Lim limkr at umich.edu
Sun Jun 18 07:34:48 CEST 2006


Dear All

I have some problems in the use of CPMD parallel in our clusters that 
include 4 CPUs.
The following command was used for the CPMD parallel calculation;

>> mprun -l "diamond.engin.umich.edu  2" 
>> /l/software/cpmd/bin/cpmd.mpi.x input.inp > output.out

I thought the above command would make my calculation run in two CPUs 
at the same time, but as shown the following output file, I guess just 
one CPU was used (NCPU: 0).

PARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARA
  NCPU     NGW     NHG  PLANES  GXRAYS  HXRAYS ORBITALS Z-PLANES
     0  192294 2149751     216    6385   31949      14       1
                G=0 COMPONENT ON PROCESSOR :     0
PARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARAPARA

Do I need to assign any commands to the input file for the use of CPMD 
parallel?
Also, what does the number 2 in my command line stand for? (I guess it 
stands for 2 CPUs)..

Thank you,
Donghee Lim






More information about the CPMD-list mailing list