PME Seg Fault

From: Richard Overstreet (roverst_at_g.clemson.edu)
Date: Mon Aug 10 2015 - 09:11:27 CDT

All,

I am simulating water transport through pore in a graphene monolayer and
I am not sure where this seg fault is originating from. I think it has
something to do with PMEGridSize. Any help would be appreciated. My conf
file is attached.

ETITLE: TS BOND ANGLE DIHED
IMPRP ELECT VDW BOUNDARY
MISC KINETIC TOTAL TEMP
POTENTIAL TOTAL3 TEMPAVG PRESSURE
GPRESSURE VOLUME PRESSAVG GPRESSAVG

ENERGY: 0 7877.9641 5095.8520 0.0000
0.0000 -256270.1972 36460.9436 0.0000
0.0000 0.0000 -206835.4375 0.0000
-206835.4375 -206835.3515 0.0000 -928.7153
-926.7003 664828.0159 -928.7153 -926.7003

OPENING EXTENDED SYSTEM TRAJECTORY FILE
REASSIGNING VELOCITIES AT STEP 1 TO 0.001 KELVIN.
------------- Processor 0 Exiting: Caught Signal ------------
Reason: Segmentation fault
[0] Stack Traceback:
  [0:0]
_ZN12PmeRealSpace12fill_chargesEPPfS1_RiS2_PcS3_P11PmeParticle+0x32e5
[0xaf1b15]
  [0:1] _ZN10ComputePme6doWorkEv+0x1250 [0x7fef50]
  [0:2]
_ZN19CkIndex_WorkDistrib29_call_enqueuePme_LocalWorkMsgEPvS0_+0xe
[0xb7e2fe]
  [0:3] CkDeliverMessageFree+0x94 [0xc89024]
  [0:4] [0xc781fb]
  [0:5] _Z15_processHandlerPvP11CkCoreState+0x888 [0xc76348]
  [0:6] CsdScheduler+0x47d [0xe3d70d]
  [0:7] _ZN9ScriptTcl7Tcl_runEPvP10Tcl_InterpiPPc+0x2c5 [0xb36be5]
  [0:8] TclInvokeStringCommand+0x7f [0x39476359ef]
  [0:9] [0x3947636a53]
  [0:10] [0x394763751f]
  [0:11] Tcl_FSEvalFileEx+0x241 [0x39476a3e31]
  [0:12] Tcl_EvalFile+0x2f [0x39476a3f6f]
  [0:13] _ZN9ScriptTcl4loadEPc+0xf [0xb3389f]
  [0:14] main+0x3f1 [0x61aea1]
  [0:15] __libc_start_main+0xfd [0x3946a1ed5d]
  [0:16] [0x57ed19]
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 14 in communicator MPI COMMUNICATOR 3 DUP
FROM 0
with errorcode 1.

-Richard


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