Minimization Error

From: 김민재 (kjh950429_at_gmail.com)
Date: Tue Mar 05 2019 - 00:31:36 CST

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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