OK, so I have reverted to specifying ARMCI_NETWORK as per Bert's advice, with the environment variables
export ARMCI_NETWORK=OPENIB
export ARMCI_DEFAULT_SHMMAX=256
export IB_HOME=/usr
export IB_INCLUDE=$IB_HOME/include
export IB_LIB=$IB_HOME/lib64
export IB_LIB_NAME="-libverbs -libumad -lpthread"
This is mostly successful. Execution on two nodes yields the following output.
ARMCI configured for 2 cluster nodes. Network protocol is 'OpenIB Verbs API'.
argument 1 = lda-147.nw
============================== echo of input deck ==============================
...
normal output for initial processing
...
NWChem correctly gets the information that there are 24 processors (2 nodes x 12), so the program is getting the MPI support information from the OS (great!). Then it crashes on an ARMCI DASSERT fail. The errors which appear (in order, I think, but stderr is interleaved from each node) follow. This is immediately as a pspw geometry optimization starts.
* NWPW PSPW Calculation *
...
>>> JOB STARTED AT Fri Dec 23 14:18:03 2011 <<<
================ input data ========================
Pack_init:error pushing stack 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
...
Last System Error Message from Task X:: No such file or directory
(rank:X hostname:taub510 pid:18040):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
application called MPI_Abort(MPI_COMM_WORLD, 0) - process X
0:Terminate signal was sent, status=: 15
In order to make sure that this wasn't my NW file's fault, I tried it with the pspw example for C2H6 with the same results. What would you suggest to get past this impasse? Thanks.
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