Hi,
I recently installed nwchem 6.0 on the LONI QueenBee teragrid HPC machine without any problems. I can run either 1 proc or >=3 proc nwchem jobs using mpirun but not 2 proc jobs. Any idea whats going on. The error message I get is as follows
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xc_setquad: out of memory -416197
xc_setquad: out of memory -416197
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current input line :
0:
current input line :
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53: task dft dynamics
Last System Error Message from Task 0:: Inappropriate ioctl for device
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Last System Error Message from Task 1:: Inappropriate ioctl for device
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For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
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For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
Exit code -3 signaled from qb316
Program!
[1] [MPI Abort by user] Aborting Program!
Abort signaled by rank 0: Killing remote processes...
0:0:xc_setquad: out of memory:: -416197
1:1:xc_setquad: out of memory:: -416197
(rank:0 hostname:qb316 pid:21127):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
(rank:1 hostname:qb316 pid:21128):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
MPI Abort by user Aborting program !
MPI process terminated unexpectedly
DONE
Signal 15 received.
LINUX64, all,qmd, md and nwpw modules, Intel 11.1 compilers with MKL 10.2.2.025, ARMCI NETWORK OPENIB with ofed 1.4.2
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