From NWChem
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Just Got Here
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| 11:16:26 AM PDT - Mon, Mar 14th 2011 |
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Hi all!
I have recently compiled NWChem with OpenIB (ifort 12.0.2, openmpi-1.4.2, OFED-1.5.2) and tried to run CCSD calculation. Memory limit in my input file is 'memory total 1800 mb'. This input runs well of with 8 MPI processes on a single node with 16 GB of RAM, consuming about 1.1GB of memory per process at CCSD stage.
The same input fails to run when 16 MPI processes are distributed over 2 nodes. The error is:
(rank:0 hostname:n306 pid:14660):ARMCI DASSERT fail. openib.c:armci_server_register_region():971 cond:(memhdl->memhndl!=((void *)0))
And a message in stderr:
7: WARNING:armci_set_mem_offset: offset changed 4096 to 9859072
Last System Error Message from Task 0:: Cannot allocate memory
This input runs with well with 32 MPI processes.
The problem is that I can not run production CCSD jobs (those are quite big).
Thanks for your kind support!
Roman Zubatyuk.
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