ARMCI issues while running

Clicked A Few Times

10:54:12 AM PDT - Mon, Aug 8th 2011

While running the NWCHEM i am getting the following error

can somebody help me to fix this

*   0: pre_mkfrg failed 9999

**********

Last System Error Message from Task 0:: Inappropriate ioctl for device
0:0::: 9999
(rank:0 hostname:dynamo.iprt.iastate.edu pid:30714):ARMCI DASSERT fail. ../../ga-5-0/armci/src/armci.c:ARMCI_Error():276 cond:0

 0: ARMCI aborting 9999 (0x270f).

 0: ARMCI aborting 9999 (0x270f).

system error message: Invalid argument

Forum Vet

5:26:50 PM PDT - Mon, Aug 8th 2011
Can you provide an input deck. Bert Quote:Ssk87 Aug 8th 5:54 pm While running the NWCHEM i am getting the following error can somebody help me to fix this * 0: pre_mkfrg failed 9999 ********** Last System Error Message from Task 0:: Inappropriate ioctl for device 0:0::: 9999 (rank:0 hostname:dynamo.iprt.iastate.edu pid:30714):ARMCI DASSERT fail. ../../ga-5-0/armci/src/armci.c:ARMCI_Error():276 cond:0 0: ARMCI aborting 9999 (0x270f). 0: ARMCI aborting 9999 (0x270f). system error message: Invalid argument

Clicked A Few Times

1:44:34 PM PDT - Tue, Aug 9th 2011

My input deck

My input deck used for running NWCHEM

memory heap 2 mb stack 1024 mb global 24 mb

start job

prepare

system mache_md

end

task prepare

md

system mache_md

equil 0 data 10

isotherm 298.15 trelax 0.1 0.1

isobar

record rest 0

pme grid 96 order 4

end

task md dynamics

Forum Vet

3:21:02 PM PDT - Fri, Aug 19th 2011
And your PDB or other starting files? I want to try and reproduce the problem with your input data. Thanks, Bert (bert.dejong@pnnl.gov) Quote:Ssk87 Aug 9th 8:44 pm My input deck used for running NWCHEM memory heap 2 mb stack 1024 mb global 24 mb start job prepare system mache_md end task prepare md system mache_md equil 0 data 10 isotherm 298.15 trelax 0.1 0.1 isobar record rest 0 pme grid 96 order 4 end task md dynamics

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