Hello,
I am new to NWChem so my appologies for the silly question.
I can't see to figure out how to run a parallel job with NWChem on my personal computer.
I have my nwchem from Nwchem-6.0-binary-readhat-5-5-gcc-4-1-2.tar.bz2 on centos 6.2 . I run nwchem successfully using 'nwchem input.nw >& input.out &' but I run a parallel job with 4 processors using 'mpirun -np 4 nwchem input.nw', error as following:
0:0::: 1
(rank:0 hostname:hee pid:26791):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
0: ARMCI aborting 0 (0).
**********
* 0: md_rtdbin: rtdb_get failed 1
**********
0:0::: 0
(rank:0 hostname:hee pid:26797):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
0: ARMCI aborting 0 (0).
**********
* 0: md_rtdbin: rtdb_get failed 0
**********
0:0::: 0
(rank:0 hostname:hee pid:26789):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
0: ARMCI aborting 0 (0).
**********
* 0: md_rtdbin: rtdb_get failed 0
**********
Any suggestions?
Thanks very much!
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