Multiple Node issue

[AsifShah]

Dear Admin,

When using the following command for 2 node with 25 cores per node:
mpiexec -n 50 -ppn 25 atkpython test.py > test.log
I see from CPU activity all calculations run on single node.

& when I use following command (host_names is a file that contains compute node addresses):
mpiexec -f host_names -n 50 -ppn -25 atkpython test.py > test.log
I see this error:
bash: /opt/QuantumATK/QuantumATK-T-2022.03-SP1/libexec/pmi_proxy: No such file or directory
bash: /opt/QuantumATK/QuantumATK-T-2022.03-SP1/libexec/pmi_proxy: No such file or directory


Kindly help resolve this error.

[Anders Blom]

Is QuantumATK installed on all machines, in the same path?

If you are using the QuantumATK "mpiexec", try setting I_MPI_DEBUG=2 (or a higher value) to get more verbose error messages.