Re: Minimization Error

From: Pratik Narain Srivastava (pratik.narain_at_gmail.com)
Date: Tue Mar 05 2019 - 01:01:22 CST

Give your configuration file and parameter file information.

On Tue, Mar 5, 2019 at 12:03 PM 김민재 <kjh950429_at_gmail.com> wrote:

> Hi
> I am trying to run a minimization run on a supercomputer (single node,
> NVIDIA gpu accelerated.) My script and configuration file are in the same
> directory, but I keep getting the following error message:
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: tried before startup to read config file parameter
> that was not set
> while executing
> "++++"
> (file "1ca2_min.namd" line 26)
>
> Charm++ fatal error:
> FATAL ERROR: tried before startup to read config file parameter that was
> not set
> while executing
> "++++"
> (file "1ca2_min.namd" line 26)
>
> My script is like the following:
> #!/bin/csh
>
> ./NAMD/namd2 +p14 +setcpuaffinity 1ca2_min.namd > 1ca2_min.log
>
> (I'll also attach the log file, but it is similar to the error message)
>
>

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