From NWChem
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Just Got Here
Threads 1
Posts 4
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| 11:24:20 PM PDT - Sat, Aug 24th 2013 |
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Hi Edoapra, thanks for your reply.
It seems that you're correct that the job will run if I request more cores. I'm now running on 64 cores, but I'm now running into a new error.
*snip*
Global array virtual files algorithm will be used
Parallel file system coherency ......... OK
Integral file = ./n2.aoints.00
Record size in doubles = 65536 No. of integs per rec = 32766
Max. records in memory = 1874 Max. records in file = ******
No. of bits per label = 16 No. of bits per value = 64
#quartets = 2.929D+06 #integrals = 1.446D+09 #direct = 0.0% #cached =100.0%
File balance: exchanges= 254 moved= 1805 time= 0.1
Fock matrix recomputed
1-e file size = 173056
1-e file name = ./n2.f1
Cpu & wall time / sec 12.3 15.4
4-electron integrals stored in orbital form
1: WARNING:armci_set_mem_offset: offset changed 0 to 26914816
33: WARNING:armci_set_mem_offset: offset changed 0 to 22720512
(rank:32 hostname:trestles-4-13.local pid:26022):ARMCI DASSERT fail. openib.c:armci_server_register_region():964 cond:(memhdl->memhndl!=((void *)0))
Last System Error Message from Task 32:: Cannot allocate memory
32:Segmentation Violation error, status=: 11
32:Segmentation Violation error, status=: 11
32:Segmentation Violation error, status=: 11
*snip*
Any suggestions?
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Edited On 11:24:59 PM PDT - Sat, Aug 24th 2013 by Kmclaugh
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