Charm++> No provisioning arguments specified. Running with a single PE.
         Use +auto-provision to fully subscribe resources or +p1 to silence this message.
Charm++: standalone mode (not using charmrun)
Charm++> Running in Multicore mode: 1 threads (PEs)
Charm++> Using recursive bisection (scheme 3) for topology aware partitions
Converse/Charm++ Commit ID: v6.10.0-rc2-9-g717093c-namd-charm-6.10.0-build-2019-Oct-31-14158
CharmLB> Load balancer assumes all CPUs are same.
Charm++> Running on 1 hosts (2 sockets x 28 cores x 2 PUs = 112-way SMP)
Charm++> cpu topology info is gathered in 0.009 seconds.
Info: NAMD Git-2019-12-13 for Linux-x86_64-multicore
Info: 
Info: Please visit http://www.ks.uiuc.edu/Research/namd/
Info: for updates, documentation, and support information.
Info: 
Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)
Info: in all publications reporting results obtained with NAMD.
Info: 
Info: Based on Charm++/Converse 61000 for multicore-linux-x86_64-iccstatic
Info: Built Fri Dec 13 02:06:04 CST 2019 by jim on belfast.ks.uiuc.edu
Info: 1 NAMD  Git-2019-12-13  Linux-x86_64-multicore  1    bogon  xzhfood
Info: Running on 1 processors, 1 nodes, 1 physical nodes.
Info: CPU topology information available.
Info: Charm++/Converse parallel runtime startup completed at 0.0155794 s
CkLoopLib is used in SMP with simple dynamic scheduling (converse-level notification)
Info: 64.1562 MB of memory in use based on /proc/self/stat
Info: Configuration file is YZZ-config.ORCA-1.namd
Info: Working in the current directory /home/xzhfood/mdsim/YZZ-namd/YZZ-QM-MM
TCL: Suspending until startup complete.
ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR:    Continuing
FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE