Hi,guys,
I am not sure am I supposed to ask for help here or not. But I do need your
guys' help to give me some hint solving this problem.
I have a parallel fortran code which is written by us. It seems like working
well but actually the output from 1 node to 5 nodes are the same(the results
I think are correct).When I am using more than 6 nodes, the output is
different,which I think is wrong.
For example,the following lines are the output from 1(or 2) node calculation
and 6 nodes calculation. Look at the data. The atomic positions are the
same. But the order of atoms are different. Why dose this happen? Why the
results are different with 5 nodes and 6 nodes?
atom type atomic position
1 Al 0.0000 0.0000 -1.8869
2 O -1.6539 0.1249 -1.0842
3 O 0.7188 -1.4947 -1.0842
4 O 0.9351 1.3699 -1.0842
5 Al 2.3727 -1.3699 -0.2816
6 Al -2.3727 1.3699 0.2816
7 O 1.6539 -0.1249 1.0842
8 O -0.7188 1.4947 1.0842
9 O -0.9351 -1.3699 1.0842
10 Al 0.0000 0.0000 1.8869
1 Al 0.0000 0.0000 -1.8869
2 O -1.6539 0.1249 -1.0842
3 O 0.7188 -1.4947 -1.0842
4 Al 0.9351 1.3699 -1.0842
5 O 2.3727 -1.3699 -0.2816
6 O -2.3727 1.3699 0.2816
7 O 1.6539 -0.1249 1.0842
8 Al -0.7188 1.4947 1.0842
9 Al -0.9351 -1.3699 1.0842
10 Al 0.0000 0.0000 1.8869
Your help is really appreciated,
Wayne
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