Re: Minimization Error

From: 김민재 (kjh950429_at_gmail.com)
Date: Tue Mar 05 2019 - 05:02:52 CST

I'll attach all the output I got from the job, plus the configuration file
and bash script.

Thanks

On Tue, Mar 5, 2019 at 4:01 PM Pratik Narain Srivastava <
pratik.narain_at_gmail.com> wrote:

> 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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