numparallel calcs for no job script

[ChrisE]

Dear All,

I have an 8 core machine and I want to run 8 serial jobs at the same time.

In my INPUT.txt I have

abinitioCode (which code shall be used for calculation?)

3 3 3 

ENDabinit

% commandExecutable

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

% EndExecutable

8     : numParallelCalcs (how many parallel calculations shall be performed)

0     : whichCluster (0: no-job-script, 1: local submission, 2: remote submission)

Folders CalcFold1 to CalcFold8 are created but the jobs are still run sequentially ie only one process at a time and not all 8.

Can anyone please help me to spot my error? Or is it not possible to run this way. I have also tried

abinitioCode (which code shall be used for calculation?)

3 3 3 

3 3 3 

3 3 3 

3 3 3 

3 3 3 

3 3 3 

3 3 3 

3 3 3 

ENDabinit

% commandExecutable

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

./job3_gulpNP

% EndExecutable

Many thanks

Chris

[Qiang Zhu]

If you use 

0     : whichCluster (0: no-job-script, 1: local submission, 2: remote submission)

there would be only nonparallel calculation allowed. It means that uspex will only do one job at the same time. In principle, one can adapt such kind of parallel mode for a small machine. But it does not help much for small calculations (especially with classical force field). Even with nonparallel mode, you can still obtain the results with classical force field very fast anyway. The speeding for this case is thus quite secondary.

Best.

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Qiang Zhu (Ph.D)
ESS 365
Department of Geosciences
Stony Brook University
NY 11794-2100

USPEX download Page: http://uspex.stonybrook.edu/