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doku:gpaw [2014/08/27 11:10] – markus | doku:gpaw [2014/08/27 11:27] (current) – jz | ||
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=== running gpaw jobs === | === running gpaw jobs === | ||
- | == Job submission using all cores on the compute nodes == | + | == Job submission using all cores on the compute nodes (VSC-1 and VSC-2) |
< | < | ||
#!/bin/sh | #!/bin/sh | ||
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</ | </ | ||
- | == Job submission using half of the cores on the compute nodes on VSC 2 == | + | == Job submission using half of the cores on the compute nodes on VSC-2. == |
+ | If each of your processes require more than 2GB (and less than 4GB) of memory, you can use the parallel environment '' | ||
< | < | ||
#!/bin/sh | #!/bin/sh | ||
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mpirun -machinefile $TMPDIR/ | mpirun -machinefile $TMPDIR/ | ||
</ | </ | ||
+ | If even more memory per process is required the environments '' | ||
+ | Alternatively, | ||
Significant speed up is seen **in our test case** when --sl_default is set. First two parameters for the BLACS grid should be similar in size to get an optimal memory distribution on the nodes. | Significant speed up is seen **in our test case** when --sl_default is set. First two parameters for the BLACS grid should be similar in size to get an optimal memory distribution on the nodes. |