NWChem-6.3 (2013-05-28) on SUSE Linux


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Ok, when GA is compiled the Makefile overwrites my environment and sets ARMCI_NETWORK=SOCKETS.

I did recompile also with openmpi and then compiled nwchem from scratch. However when I try to run the executable I have the following error:

...
      Schwarz screening/accCoul: 1.00D-08

1:1:ga_diag:peigs not interfaced:: -1
(rank:1 hostname:ws31 pid:1973):ARMCI DASSERT fail. src/common/armci.c:ARMCI_Error():208 cond:0
2:2:ga_diag:peigs not interfaced:: -1
(rank:2 hostname:ws31 pid:1974):ARMCI DASSERT fail. src/common/armci.c:ARMCI_Error():208 cond:0
3:3:ga_diag:peigs not interfaced:: -1
(rank:3 hostname:ws31 pid:1975):ARMCI DASSERT fail. src/common/armci.c:ARMCI_Error():208 cond:0
0:0:ga_diag:peigs not interfaced:: -1
Last System Error Message from Task 3:: No such file or directory
Last System Error Message from Task 2:: No such file or directory
Last System Error Message from Task 1:: No such file or directory


MPI_ABORT was invoked on rank 3 in communicator MPI COMMUNICATOR 4 DUP FROM 0
with errorcode -1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.


(rank:0 hostname:ws31 pid:1972):ARMCI DASSERT fail. src/common/armci.c:ARMCI_Error():208 cond:0
Last System Error Message from Task 0:: Inappropriate ioctl for device


mpirun has exited due to process rank 1 with PID 1973 on
node ws31 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).


[ws31:01971] 3 more processes have sent help message help-mpi-api.txt / mpi-abort
[ws31:01971] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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