NWChem Efficiency


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I can use ifort and icc with openmpi, mkl, and mpi-spawn, but I get a different error:

 argument  1 = PCBM.nw
0:Terminate signal was sent, status=: 15
(rank:0 hostname:xxx25 pid:23193):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/signaltrap.c:SigTermHandler():472 cond:0


ORTE_ERROR_LOG: Not found in file base/odls_base_default_fns.c at line 940
Last System Error Message from Task 0:: No such file or directory
Last System Error Message from Task 1:: No such file or directory
forrtl: error (78): process killed (SIGTERM)
Image              PC                Routine            Line        Source             
nwchem             000000000397DECA  Unknown               Unknown  Unknown
nwchem             000000000397C9C6  Unknown               Unknown  Unknown
nwchem             000000000392DCE0  Unknown               Unknown  Unknown
nwchem             00000000038DA33E  Unknown               Unknown  Unknown
nwchem             00000000038DF793  Unknown               Unknown  Unknown
nwchem             0000000002BB088D  Unknown               Unknown  Unknown
nwchem             0000000002B9250F  Unknown               Unknown  Unknown
nwchem             0000000002BB074B  Unknown               Unknown  Unknown
libc.so.6          00002AAAAB9FF900  Unknown               Unknown  Unknown
libc.so.6          00002AAAABAB32C3  Unknown               Unknown  Unknown
libmpi.so.1        00002AAAAB6B1D52  Unknown               Unknown  Unknown
libmpi.so.1        00002AAAAB6B2B26  Unknown               Unknown  Unknown
libmpi.so.1        00002AAAAB6B29C2  Unknown               Unknown  Unknown
libmpi.so.1        00002AAAAB6E322C  Unknown               Unknown  Unknown
libmpi.so.1        00002AAAAB611C76  Unknown               Unknown  Unknown
mca_coll_tuned.so  00002AAAB226CACB  Unknown               Unknown  Unknown
mca_coll_tuned.so  00002AAAB226C6DB  Unknown               Unknown  Unknown
mca_coll_tuned.so  00002AAAB22643A7  Unknown               Unknown  Unknown
mca_coll_sync.so   00002AAAB205B651  Unknown               Unknown  Unknown
mca_dpm_orte.so    00002AAAB00CA558  Unknown               Unknown  Unknown
libmpi.so.1        00002AAAAB62362D  Unknown               Unknown  Unknown
nwchem             0000000002BA8F5E  Unknown               Unknown  Unknown
nwchem             0000000002B97CEF  Unknown               Unknown  Unknown
nwchem             0000000002B93A89  Unknown               Unknown  Unknown
nwchem             0000000002B9A8A6  Unknown               Unknown  Unknown
nwchem             0000000002BFA4CD  Unknown               Unknown  Unknown
nwchem             0000000002AC25B3  Unknown               Unknown  Unknown
nwchem             000000000041788B  Unknown               Unknown  Unknown
nwchem             00000000004176AC  Unknown               Unknown  Unknown
libc.so.6          00002AAAAB9EBCDD  Unknown               Unknown  Unknown
nwchem             00000000004175A9  Unknown               Unknown  Unknown
Last System Error Message from Task 2:: No such file or directory


I can’t use mpi-mt with openmpi because multi-threading is not supported.