From: Joao Ribeiro KS (jribeiro_at_ks.uiuc.edu)
Date: Mon Apr 13 2020 - 09:25:39 CDT
Hi Frank,
A way to check the error that triggered the termination of NAMD is to check
the MD.log in the out folder/run.
Without knowing precisely the error, I would suggest installing the beta
version of QwikMD (will be released in the VMD 1.9.4) located at
http://www.ks.uiuc.edu/Research/qwikmd/. Make sure that you download the
Windows version and follow the README instructions. Some issues were fixed
already in this version.
If this doesn't fix the issue, please search in the VMD-l or report back
the error printed in the log file.
Best,
Joao
On Sun, Apr 12, 2020 at 2:35 PM Frank Lam <franklam66_at_gmail.com> wrote:
> Hello,
>
> I am new to VMD and NAMD and recently started to learn how to do
> simulations. I am using QwikMD on Windows. I am getting the error below
> after I try to "Start MD Simulation". Any guidance is appreciated.
>
> child killed: unknown signal
> child killed: unknown signal
> while executing
> "::exec F:/VMD/namd2/namd2.exe +idlepoll +setcpuaffinity +p4 MD.conf >>
> MD.log"
> ("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 namd2 +idlepoll +setcpuaffinity +p4 MD.conf >> MD.log"
> ("eval" body line 1)
> invoked from within
> "eval ::ExecTool::exec $exec_command >> $conf.log"
> (procedure "QWIKMD::Run" line 219)
> invoked from within
> "QWIKMD::Run"
> invoked from within
> ".qwikmd.nbinput.f2.fcontrol.fcolapse.f1.run.button_Calculate invoke "
> invoked from within
> ".qwikmd.nbinput.f2.fcontrol.fcolapse.f1.run.button_Calculate instate
> {pressed !disabled} {
> .qwikmd.nbinput.f2.fcontrol.fcolapse.f1.run.button_Calculat..."
> (command bound to event)
>
>
>
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:13 CST