From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Sun Mar 31 2013 - 13:14:38 CDT

Hello:
With VMD for LINUXAMD64, version 1.9.2a20 (March 12, 2013), FFTK plugin,
from OptGeom, for a diatomic molecule, skipping charge optimization, I
tried CalcBonded OptBonded.

At RunOptimization, error

Charm++: standalone mode (not using charmrun)
Converse/Charm++ Commit ID: v6.4.0-beta1-0-g5776d21
FATAL ERROR: Please add +idlepoll to command line for proper performance.
[0] Stack Traceback:
  [0:0] CmiAbort+0x70 [0xa6302d]
  [0:1] _Z8NAMD_diePKc+0x4a [0x55e03a]
  [0:2] _ZN7BackEnd4initEiPPc+0xd4 [0x565d84]
  [0:3] main+0x10 [0x529190]
  [0:4] __libc_start_main+0xfd [0x7fa6e82afead]
  [0:5] [0x52bead]
[0] Stack Traceback:
  [0:0] [0xa62598]
  [0:1] CmiAbort+0xa5 [0xa63062]
  [0:2] _Z8NAMD_diePKc+0x4a [0x55e03a]
  [0:3] _ZN7BackEnd4initEiPPc+0xd4 [0x565d84]
  [0:4] main+0x10 [0x529190]
  [0:5] __libc_start_main+0xfd [0x7fa6e82afead]
  [0:6] [0x52bead]
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Please add +idlepoll to command line for proper
performance.

Charm++ fatal error:
FATAL ERROR: Please add +idlepoll to command line for proper performance.

Charm++: standalone mode (not using charmrun)
Converse/Charm++ Commit ID: v6.4.0-beta1-0-g5776d21
FATAL ERROR: Please add +idlepoll to command line for proper performance.
[0] Stack Traceback:
  [0:0] CmiAbort+0x70 [0xa6302d]
  [0:1] _Z8NAMD_diePKc+0x4a [0x55e03a]
  [0:2] _ZN7BackEnd4initEiPPc+0xd4 [0x565d84]
  [0:3] main+0x10 [0x529190]
  [0:4] __libc_start_main+0xfd [0x7fa6e82afead]
  [0:5] [0x52bead]
[0] Stack Traceback:
  [0:0] [0xa62598]
  [0:1] CmiAbort+0xa5 [0xa63062]
  [0:2] _Z8NAMD_diePKc+0x4a [0x55e03a]
  [0:3] _ZN7BackEnd4initEiPPc+0xd4 [0x565d84]
  [0:4] main+0x10 [0x529190]
  [0:5] __libc_start_main+0xfd [0x7fa6e82afead]
  [0:6] [0x52bead]
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Please add +idlepoll to command line for proper
performance.

Charm++ fatal error:
FATAL ERROR: Please add +idlepoll to command line for proper performance.

    while executing
"::exec /opt/namd2.9-cuda4.0-plumed-1.3_2013-03-12/bin/namd2
min-bondangles.conf"
    ("eval" body line 1)
    invoked from within
"eval ::exec [list $exec_path] [lrange $args 1 end]"
    (procedure "::ExecTool::exec" line 14)
    invoked from within
"::ExecTool::exec $namdbin $minName.conf"
    (procedure "::ForceFieldToolKit::BondAngleOpt::optBondsAngles" line 68)
    invoked from within
"$function $p0list"
    (procedure "construct_initial_simplex" line 22)
    invoked from within
"construct_initial_simplex [lindex $args 0] $scale"
    (procedure "::Optimize::Opt0::handle" line 91)
    invoked from within
"$opt initsimplex $baInitial $scale"
    (procedure "::ForceFieldToolKit::BondAngleOpt::optimize" line 320)
    invoked from within
"::ForceFieldToolKit::BondAngleOpt::optimize"
    (procedure "::ForceFieldToolKit::gui::baoptRunOpt" line 40)
    invoked from within
"::ForceFieldToolKit::gui::baoptRunOpt "
    invoked from within
".fftk_gui.hlf.nb.bondangleopt.runOpt invoke "
    invoked from within
".fftk_gui.hlf.nb.bondangleopt.runOpt instate {pressed !disabled} {
.fftk_gui.hlf.nb.bondangleopt.runOpt state !pressed;
.fftk_gui.hlf.nb.bondangleopt...."
    (command bound to event)

This is a CPU/GPU system (and the GPUs where activated before runopt) where
the command line is

charmrun $NAMD_HOME/bin/namd2 filename.conf +p(numver of CPUs) +idlepoll

With FFTK I simply added the full path to namd2 executable

Where to add the requested "+idlepoll"? If added after "namd" of the FFTK
line, the error is "namd2 binary not found"

 I am following old directions for FFTK. Where to find a manual for current
version?

Thanks
francesco pietra