Would you please take a look on the bottom part of the output file. Is that memory issue and parallelization issue. I am using 4 nodes and 8 processors in each node.
Thanks
Entering Davidson iterations
Restricted singlet excited states
Iter NTrls NConv DeltaV DeltaE Time
---- ------ ------ --------- --------- ---------
1 40 0 0.26E+00 0.10+100 4121.9
21:Segmentation Violation error, status=: 11
(rank:21 hostname:cluster3-118.chpc.ndsu.nodak.edu pid:5691):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/signaltrap.c:SigSegvHandler():310 cond:0
Last System Error Message from Task 21:: Numerical result out of range
MPI_ABORT was invoked on rank 21 in communicator MPI COMMUNICATOR 4 DUP FROM 0
with errorcode 11.
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.
0:Terminate signal was sent, status=: 15
(rank:0 hostname:cluster3-121.chpc.ndsu.nodak.edu pid:8302):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/signaltrap.c:SigTermHandler():472 cond:0
Last System Error Message from Task 3:: Numerical result out of range
Last System Error Message from Task 4:: Numerical result out of range
Last System Error Message from Task 5:: Numerical result out of range
Last System Error Message from Task 6:: Numerical result out of range
Last System Error Message from Task 7:: Numerical result out of range
Last System Error Message from Task 0:: Illegal seek
Last System Error Message from Task 1:: Numerical result out of range
Last System Error Message from Task 2:: Numerical result out of range
Last System Error Message from Task 18:: Numerical result out of range
Last System Error Message from Task 15:: Numerical result out of range
Last System Error Message from Task 8:: Numerical result out of range
Last System Error Message from Task 20:: Numerical result out of range
Last System Error Message from Task 10:: Numerical result out of range
Last System Error Message from Task 19:: Numerical result out of range
Last System Error Message from Task 11:: Numerical result out of range
Last System Error Message from Task 12:: Numerical result out of range
Last System Error Message from Task 22:: Numerical result out of range
Last System Error Message from Task 23:: Numerical result out of range
Last System Error Message from Task 9:: Numerical result out of range
Last System Error Message from Task 13:: Numerical result out of range
Last System Error Message from Task 14:: Numerical result out of range
Last System Error Message from Task 16:: Numerical result out of range
Last System Error Message from Task 17:: Numerical result out of range
mpirun has exited due to process rank 21 with PID 5691 on
node cluster3-118 exiting improperly. There are two reasons this could occur:
1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.
2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"
This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
Last System Error Message from Task 24:: Numerical result out of range
Last System Error Message from Task 26:: Numerical result out of range
Last System Error Message from Task 27:: Numerical result out of range
Last System Error Message from Task 28:: Numerical result out of range
Last System Error Message from Task 29:: Numerical result out of range
Last System Error Message from Task 30:: Numerical result out of range
Last System Error Message from Task 31:: Numerical result out of range
Last System Error Message from Task 25:: Numerical result out of range
[cluster3-121.chpc.ndsu.nodak.edu:08301] 27 more processes have sent help message help-mpi-api.txt / mpi-abort
[cluster3-121.chpc.ndsu.nodak.edu:08301] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
|